70698657
  -OEChem-05211306282D

 46 50  0     0  0  0  0  0  0999 V2000
    8.2514   -4.0166    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3853    0.9474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174   -0.0526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8555    0.4474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3853   -0.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2514    1.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174    0.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2514   -0.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4391   -0.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2353    2.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1333    3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0354    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4391    1.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0274    1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7514   -1.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6949   -1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1295    4.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9034    2.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2514   -2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7514   -1.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9010   -2.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7443   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7514   -3.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2514   -2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1567   -2.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7514   -3.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2062   -2.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6948    2.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2465    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5607    1.1381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7495    4.0190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1271    4.6367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5095    4.0143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2113    2.4544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4415    3.3004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5954    3.5306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6314   -2.2846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0614   -0.8817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4904   -2.1963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164   -0.1078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4414   -3.6876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8714   -2.2846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2846   -3.2782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4107   -1.1898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 13  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 23  1  0  0  0  0
 19 38  1  0  0  0  0
 20 24  2  0  0  0  0
 20 39  1  0  0  0  0
 21 25  1  0  0  0  0
 21 40  1  0  0  0  0
 22 26  2  0  0  0  0
 22 41  1  0  0  0  0
 23 27  2  0  0  0  0
 23 42  1  0  0  0  0
 24 27  1  0  0  0  0
 24 43  1  0  0  0  0
 25 28  2  0  0  0  0
 25 44  1  0  0  0  0
 26 28  1  0  0  0  0
 26 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70698657

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
528

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AQAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFix9AAAHQAAAAAADAiBHgw30LcMGACgAyRjZACCgC0xEqAJ2CA4dJiIaOLA2dGUJAhogALIyCcQgMAOiAAAQAAQACAQAACAACAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(4-fluorophenyl)-7,8-dimethyl-3-phenyl-imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_CAS_NAME>
4-(4-fluorophenyl)-7,8-dimethyl-3-phenylimidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_NAME>
4-(4-fluorophenyl)-7,8-dimethyl-3-phenylimidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(4-fluorophenyl)-7,8-dimethyl-3-phenyl-imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(4-fluorophenyl)-7,8-dimethyl-3-phenyl-imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H18FN3/c1-15-12-20-21(13-16(15)2)28-14-26-22(17-6-4-3-5-7-17)24(28)23(27-20)18-8-10-19(25)11-9-18/h3-14H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
YTPVABRRUGXMNN-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
367.148476

> <PUBCHEM_MOLECULAR_FORMULA>
C24H18FN3

> <PUBCHEM_MOLECULAR_WEIGHT>
367.418223

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C=C1C)N3C=NC(=C3C(=N2)C4=CC=C(C=C4)F)C5=CC=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C=C1C)N3C=NC(=C3C(=N2)C4=CC=C(C=C4)F)C5=CC=CC=C5

> <PUBCHEM_CACTVS_TPSA>
30.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
367.148476

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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  11  8
11  12  8
12  14  8
15  19  8
15  20  8
16  21  8
16  22  8
19  23  8
2  13  8
2  5  8
2  6  8
20  24  8
21  25  8
22  26  8
23  27  8
24  27  8
25  28  8
26  28  8
3  7  8
3  8  8
4  13  8
4  9  8
5  8  8
5  9  8
6  10  8
6  7  8
7  14  8

$$$$