70698649
  -OEChem-05221317472D

 40 44  0     0  0  0  0  0  0999 V2000
    5.3853    1.0144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174    0.0144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8555    0.5144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3853    0.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2514    1.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2514   -0.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4391   -0.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174    1.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4391    1.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7514   -1.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6949   -0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2353    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0274    1.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1333    3.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0354    2.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2514   -2.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7514   -1.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9010   -1.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7443   -0.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7514   -3.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2514   -2.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1567   -2.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7514   -3.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2062   -2.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2465    1.9085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6948    2.8597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5607    1.2051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1310    3.7037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5735    2.8708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6314   -2.2176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0614   -0.8147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4904   -2.1293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164   -0.0408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4414   -3.6206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8714   -2.2176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2846   -3.2112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4107   -1.1228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0615   -3.6206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448   -2.7080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 12  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 26  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  2  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 20  1  0  0  0  0
 16 31  1  0  0  0  0
 17 21  2  0  0  0  0
 17 32  1  0  0  0  0
 18 22  1  0  0  0  0
 18 33  1  0  0  0  0
 19 23  2  0  0  0  0
 19 34  1  0  0  0  0
 20 24  2  0  0  0  0
 20 35  1  0  0  0  0
 21 24  1  0  0  0  0
 21 36  1  0  0  0  0
 22 25  2  0  0  0  0
 22 37  1  0  0  0  0
 23 25  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70698649

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
441

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7AAAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFix9AAAHAAAAAAADAiBHgQ10LcMGACgAyRjZACCgC0xEqAJ2CA4dJiIaOLA2dGUJAhogALIyCcQgMAOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,4-diphenylimidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_CAS_NAME>
3,4-diphenylimidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_NAME>
3,4-diphenylimidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,4-diphenylimidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,4-diphenylimidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H15N3/c1-3-9-16(10-4-1)20-22-21(17-11-5-2-6-12-17)24-18-13-7-8-14-19(18)25(22)15-23-20/h1-15H

> <PUBCHEM_IUPAC_INCHIKEY>
DPUUVJVXNAMWQR-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
321.126597

> <PUBCHEM_MOLECULAR_FORMULA>
C22H15N3

> <PUBCHEM_MOLECULAR_WEIGHT>
321.3746

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=C3C(=NC4=CC=CC=C4N3C=N2)C5=CC=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=C3C(=NC4=CC=CC=C4N3C=N2)C5=CC=CC=C5

> <PUBCHEM_CACTVS_TPSA>
30.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
321.126597

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
1  4  8
1  5  8
1  9  8
10  16  8
10  17  8
11  18  8
11  19  8
12  14  8
13  15  8
14  15  8
16  20  8
17  21  8
18  22  8
19  23  8
2  6  8
2  8  8
20  24  8
21  24  8
22  25  8
23  25  8
3  7  8
3  9  8
4  6  8
4  7  8
5  12  8
5  8  8
8  13  8

$$$$