70698647
  -OEChem-04252400342D

 34 37  0     0  0  0  0  0  0999 V2000
    7.0479    2.7726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    0.7275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.2725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798    2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    1.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1719    1.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799    2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2778    2.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -2.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -3.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -3.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -3.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0517    3.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393    2.5727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910    1.6215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910   -1.1666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7052    0.9181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2754    3.4167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9929   -1.9626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -1.9626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9929   -3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -4.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6717    3.7702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0541    4.3925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4317    3.7749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 21  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4 11  2  0  0  0  0
  4 12  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  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 15  2  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 20  2  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70698647

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
358

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFix9AAAHgAAAAAADAzBngY/1rcMHACgAzRnZACCiC0xMqAJ2CA+fJiMbuLE+duUNChuwBvI6Cew0IMOAEAAAgAAACAAgAAEAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-methoxy-4-phenyl-imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_CAS_NAME>
7-methoxy-4-phenylimidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-methoxy-4-phenylimidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_NAME>
7-methoxy-4-phenylimidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-methoxy-4-phenyl-imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-methoxy-4-phenyl-imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H13N3O/c1-21-13-7-8-15-14(9-13)19-17(12-5-3-2-4-6-12)16-10-18-11-20(15)16/h2-11H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
OTPNPWBHEBUFLI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
275.105862047

> <PUBCHEM_MOLECULAR_FORMULA>
C17H13N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
275.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)N3C=NC=C3C(=N2)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)N3C=NC=C3C(=N2)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
39.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
275.105862047

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

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

$$$$