9212
  -OEChem-05122415152D

 26 28  0     0  0  0  0  0  0999 V2000
    4.8830   -0.7853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820   -0.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7840   -0.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595    0.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065    0.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830    1.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830    1.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295   -1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365   -1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318   -0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5342   -0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7660    0.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -1.4053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1140    1.9639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6520    1.9639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3744   -1.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3916   -1.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380    1.5518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1280    1.5518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7789   -1.1957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9871   -1.1958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4083    0.4283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3578    0.4282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 15  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9212

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
222

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByAAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAABAAAAAABQAAAHAAQAAAADAiBGAAwwILAAACAAiRCQACCAAAhAgAIiAAAZIgIIGLAkZGEIAhgkADIyAcQgAAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
11H-benzo[b][1]benzazepine

> <PUBCHEM_IUPAC_CAS_NAME>
11H-benzo[b][1]benzazepine

> <PUBCHEM_IUPAC_NAME_MARKUP>
11<I>H</I>-benzo[b][1]benzazepine

> <PUBCHEM_IUPAC_NAME>
11H-benzo[b][1]benzazepine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
11H-benzo[b][1]benzazepine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
11H-benzo[b][1]benzazepine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H

> <PUBCHEM_IUPAC_INCHIKEY>
LCGTWRLJTMHIQZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
193.089149355

> <PUBCHEM_MOLECULAR_FORMULA>
C14H11N

> <PUBCHEM_MOLECULAR_WEIGHT>
193.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2

> <PUBCHEM_CACTVS_TPSA>
12

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
193.089149355

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  14  8
13  15  8
2  4  8
2  8  8
3  5  8
3  9  8
4  10  8
5  11  8
8  12  8
9  13  8

$$$$