68566548
  -OEChem-05112421132D

 27 30  0     1  0  0  0  0  0999 V2000
    5.5961   -0.0237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8360   -0.3024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8013    2.1304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0270    0.2854    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2243   -0.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323   -1.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5263   -1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3360    1.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3360    1.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6450    0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0571   -2.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8707    2.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5455   -3.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5100   -3.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3568    3.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3152    3.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5249    0.6491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9132    0.2353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6582   -0.5540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6770   -2.1295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -2.1267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4906    2.1232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8571   -3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1975   -3.5710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6689    3.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0031    3.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 16  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68566548

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
343

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAWLAAAA8QAAAAAAWAFgBwAAAHgAAAAAADCjBngQ8wJMIEACoAzV3VACCgCA1AiAI2CE4ZNgIYPrA1ZGUIYhghgDIycccicCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaen-16-one

> <PUBCHEM_IUPAC_CAS_NAME>
1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaen-16-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,11-diazatetracyclo[7.7.0.0<SUP>2,7</SUP>.0<SUP>10,15</SUP>]hexadeca-2,4,6,10(15),11,13-hexaen-16-one

> <PUBCHEM_IUPAC_NAME>
1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaen-16-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaen-16-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaen-16-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H10N2O/c17-14-10-5-3-7-15-13(10)12-8-9-4-1-2-6-11(9)16(12)14/h1-7,12H,8H2

> <PUBCHEM_IUPAC_INCHIKEY>
WHBMVJSKJSRWAR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
222.079312947

> <PUBCHEM_MOLECULAR_FORMULA>
C14H10N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
222.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2C3=C(C=CC=N3)C(=O)N2C4=CC=CC=C41

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2C3=C(C=CC=N3)C(=O)N2C4=CC=CC=C41

> <PUBCHEM_CACTVS_TPSA>
33.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.079312947

> <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>
11  15  8
12  14  8
13  16  8
14  15  8
16  17  8
3  17  8
3  8  8
4  5  3
6  11  8
6  7  8
7  12  8
8  9  8
9  13  8

$$$$