70698663
  -OEChem-05122415092D

 24 26  0     0  0  0  0  0  0999 V2000
    6.9814    0.8374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -0.7939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830    1.3967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9972   -1.9553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595    0.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830    1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7840   -0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065    0.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295   -1.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    0.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0190   -1.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4691   -1.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318   -0.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5210    2.0012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8244    1.6657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6520    1.9553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3744   -1.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380    1.5432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5716   -2.2079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0836   -0.9982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7789   -1.2043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4082    0.4197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4 12  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 19  1  0  0  0  0
 11 15  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70698663

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
269

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAABYAAAACxwAAAHgAQAAAADAjBngQ90JfMEACoAzV3dACCgC03EqAJ2IG4dMiIaGrA2bGUIIhohgLIyOcQgAAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
5,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-4-one

> <PUBCHEM_IUPAC_NAME>
5,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,6-dihydroimidazo[1,5-a][1,4]benzodiazepin-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H9N3O/c15-11-10-6-12-7-14(10)9-4-2-1-3-8(9)5-13-11/h1-4,6-7H,5H2,(H,13,15)

> <PUBCHEM_IUPAC_INCHIKEY>
PZFSRPZRKQISBD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
199.074561919

> <PUBCHEM_MOLECULAR_FORMULA>
C11H9N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
199.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2=CC=CC=C2N3C=NC=C3C(=O)N1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2=CC=CC=C2N3C=NC=C3C(=O)N1

> <PUBCHEM_CACTVS_TPSA>
46.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
199.074561919

> <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
14  15  8
2  12  8
2  8  8
4  12  8
4  13  8
5  10  8
5  6  8
6  11  8
8  13  8

$$$$