70698652
  -OEChem-04162401342D

 48 52  0     0  0  0  0  0  0999 V2000
    8.9034    3.0046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2514   -4.0046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3853    0.9595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174   -0.0405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8555    0.4595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3853   -0.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2514    1.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2514   -0.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4391   -0.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174    0.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4391    1.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7514   -1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6949   -1.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2353    2.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0274    1.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0354    2.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1333    3.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2514   -2.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7514   -1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7443   -0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9010   -1.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7514   -3.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2514   -2.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7514   -3.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1567   -2.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2062   -2.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9072    4.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2514   -4.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2465    1.8536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6948    2.8048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5607    1.1502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1310    3.6488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6314   -2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0614   -0.8696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164   -0.0957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4904   -2.1842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4414   -3.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8714   -2.2725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4107   -1.1777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2846   -3.2661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448   -2.7629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5272    4.0022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9096    4.6246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2872    4.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2513   -4.6246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8714   -4.0046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2514   -3.3846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 28  1  0  0  0  0
  2 24  1  0  0  0  0
  2 29  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 30  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 13 21  1  0  0  0  0
 14 17  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 17 33  1  0  0  0  0
 18 22  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  2  0  0  0  0
 19 35  1  0  0  0  0
 20 25  1  0  0  0  0
 20 36  1  0  0  0  0
 21 26  2  0  0  0  0
 21 37  1  0  0  0  0
 22 24  2  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 25 27  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70698652

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
532

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFix9AAAHgAAAAAADAyBngY31rcMHACgAyRjZACCiC0xMqAJ2CA+fJiMbuLE+duUNChuwBvI6Cew0OMOIEAAAgAAACBAgAAEAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-methoxy-4-(4-methoxyphenyl)-3-phenyl-imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_CAS_NAME>
7-methoxy-4-(4-methoxyphenyl)-3-phenylimidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-methoxy-4-(4-methoxyphenyl)-3-phenylimidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_NAME>
7-methoxy-4-(4-methoxyphenyl)-3-phenylimidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-methoxy-4-(4-methoxyphenyl)-3-phenyl-imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-methoxy-4-(4-methoxyphenyl)-3-phenyl-imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H19N3O2/c1-28-18-10-8-17(9-11-18)23-24-22(16-6-4-3-5-7-16)25-15-27(24)21-13-12-19(29-2)14-20(21)26-23/h3-15H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
BHOSEROLTLGXDJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.5

> <PUBCHEM_EXACT_MASS>
381.147726857

> <PUBCHEM_MOLECULAR_FORMULA>
C24H19N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
381.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)OC)N4C2=C(N=C4)C5=CC=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)OC)N4C2=C(N=C4)C5=CC=CC=C5

> <PUBCHEM_CACTVS_TPSA>
48.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
381.147726857

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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
12  18  8
12  19  8
13  20  8
13  21  8
14  17  8
15  16  8
16  17  8
18  22  8
19  23  8
20  25  8
21  26  8
22  24  8
23  24  8
25  27  8
26  27  8
3  11  8
3  6  8
3  7  8
4  10  8
4  8  8
5  11  8
5  9  8
6  8  8
6  9  8
7  10  8
7  14  8

$$$$