70698648
  -OEChem-04242422322D

 30 33  0     0  0  0  0  0  0999 V2000
    5.2740    3.7846    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    0.7154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.2846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    1.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798    2.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1719    1.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2778    2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799    2.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -3.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910    1.6094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910   -1.1787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393    2.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7052    0.9060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7180    2.5718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9929   -1.9746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -1.9746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9929   -3.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -3.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -4.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 21  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 15  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70698648

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
345

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7AAAAEAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFix9AAAHABAAAABrAjBHgQ90LcMGACgAzRnZACCgC0xEqQJ2CA4dLiIaOLA2dGUJAhogALIyjcQgIAOAAAgAAEAACAAAEAAAgAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
8-bromo-4-phenyl-imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_CAS_NAME>
8-bromo-4-phenylimidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_NAME_MARKUP>
8-bromo-4-phenylimidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_NAME>
8-bromo-4-phenylimidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-bromanyl-4-phenyl-imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-bromo-4-phenyl-imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H10BrN3/c17-12-6-7-13-14(8-12)20-10-18-9-15(20)16(19-13)11-4-2-1-3-5-11/h1-10H

> <PUBCHEM_IUPAC_INCHIKEY>
OJVRTLOTCYQCCB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
323.00581

> <PUBCHEM_MOLECULAR_FORMULA>
C16H10BrN3

> <PUBCHEM_MOLECULAR_WEIGHT>
324.17

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)N4C2=CN=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)N4C2=CN=C4

> <PUBCHEM_CACTVS_TPSA>
30.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.00581

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
12  14  8
13  15  8
14  15  8
16  18  8
17  19  8
18  20  8
19  20  8
2  10  8
2  5  8
2  6  8
3  7  8
3  8  8
4  10  8
4  11  8
5  11  8
5  7  8
6  12  8
6  8  8
8  13  8
9  16  8
9  17  8

$$$$