70679965
  -OEChem-05072413492D

 29 32  0     1  0  0  0  0  0999 V2000
    5.3665   -0.1091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344   -0.1091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    1.8909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7684    0.3909    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0314   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7684    1.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4365   -1.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4252   -1.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5005    0.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5005    1.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460   -1.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8436    2.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375    2.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8324    2.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014   -2.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313   -2.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2017    0.6424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6660    0.2247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4949   -0.5869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5564    1.9735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1578    1.2833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3826   -2.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6619   -1.8382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4296    3.3242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8442    1.9302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1424    3.5027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3466   -3.5310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9972   -3.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
 10 14  2  0  0  0  0
 11 16  1  0  0  0  0
 11 23  1  0  0  0  0
 12 17  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70679965

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
343

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAWLAAAA8QAAAAAAAAFgBwAAAHgAAAAAADCjBngQ8wJMMEACoAzV3VACCgCA3AiAI2CG4ZNgIYPLAlbGUIQhghgDIyYcYgYAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,12,14-pentaen-16-one

> <PUBCHEM_IUPAC_CAS_NAME>
1,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,12,14-pentaen-16-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,11-diazatetracyclo[7.7.0.0<SUP>2,7</SUP>.0<SUP>11,15</SUP>]hexadeca-2,4,6,12,14-pentaen-16-one

> <PUBCHEM_IUPAC_NAME>
1,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,12,14-pentaen-16-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,12,14-pentaen-16-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,12,14-pentaen-16-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H12N2O/c17-14-13-6-3-7-15(13)9-11-8-10-4-1-2-5-12(10)16(11)14/h1-7,11H,8-9H2

> <PUBCHEM_IUPAC_INCHIKEY>
JYUMOKUCVYBIKV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
224.094963011

> <PUBCHEM_MOLECULAR_FORMULA>
C14H12N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
224.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2CN3C=CC=C3C(=O)N2C4=CC=CC=C41

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2CN3C=CC=C3C(=O)N2C4=CC=CC=C41

> <PUBCHEM_CACTVS_TPSA>
25.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
224.094963011

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  16  8
12  17  8
13  15  8
14  15  8
16  17  8
3  10  8
3  13  8
4  5  3
7  11  8
7  8  8
8  12  8

$$$$