71203
  -OEChem-09261415462D

 44 48  0     1  0  0  0  0  0999 V2000
    6.3474    1.5215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8393   -0.4854    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4814    0.0215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7493    1.0215    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7493    0.0215    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8911    1.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6153   -0.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6153    1.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7493    2.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0256    1.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8313   -1.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6314   -1.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7334   -2.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4814    1.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6194   -1.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0993   -0.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833    2.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1408   -2.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1338   -0.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1760   -2.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6758   -1.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7493   -0.8285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2922    1.9912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4971    1.9971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0139    1.9964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2168    1.9964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3599    1.9138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9614    2.6041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8239    1.6205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4128    0.9399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929    0.1687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7682   -0.5322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2213   -1.4162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6177   -2.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3361   -2.5238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1343   -2.5207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1933    3.0584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    2.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5733    1.9845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8352   -3.0609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4269   -0.1742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4944   -3.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2956   -1.5879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5  7  1  0  0  0  0
  5 23  1  6  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 13  2  0  0  0  0
  8 15  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 18  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  2  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71203

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
492

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAA8WLEAAAAAAFix8AAAHgAAAAAADijBngQywPMMEACoAyVyVACCgCAhAiAImCE4ZJgIYPLAkZGUIAhghADIyAccicCfgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
WYJAPUKIYAZSEM-MOPGFXCFSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
294.173213

> <PUBCHEM_MOLECULAR_FORMULA>
C19H22N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
294.39078

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2

> <PUBCHEM_CACTVS_TPSA>
25.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
294.173213

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  16  8
16  17  8
16  19  8
17  20  8
19  21  8
20  22  8
21  22  8
3  17  8
3  7  8
4  9  6
5  23  6
7  13  8

$$$$
