70698650
  -OEChem-04242421302D

 36 39  0     0  0  0  0  0  0999 V2000
    4.2354    1.2154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.2154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7056    0.7154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2354    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -0.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014    1.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785   -1.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892    1.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0854    2.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8774    1.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9834    3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2354   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8855    2.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2354   -2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014   -3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9991   -1.6595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5923   -1.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966    2.1094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449    3.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4108    1.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721   -0.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933   -1.3740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279   -1.8528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9810    3.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6984   -1.4746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5044   -1.4746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4236    3.0717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6984   -3.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5044   -3.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014   -3.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
 12 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 18  2  0  0  0  0
 15 30  1  0  0  0  0
 16 19  1  0  0  0  0
 16 31  1  0  0  0  0
 17 20  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70698650

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
352

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7AAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFix9AAAHAAAAAAADAiBHgQ30LcMGACgAyRjZACCgC0xEqAJ2CA4dJiIaOLA2dGUJAhogALIyCcQgMAOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-ethyl-4-phenyl-imidazo[1,5-a]quinoxaline

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-ethyl-4-phenylimidazo[1,5-a]quinoxaline

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

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-ethyl-4-phenyl-imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-ethyl-4-phenyl-imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H15N3/c1-2-14-18-17(13-8-4-3-5-9-13)20-15-10-6-7-11-16(15)21(18)12-19-14/h3-12H,2H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
HTPYNMBXWRVBHY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
273.126597491

> <PUBCHEM_MOLECULAR_FORMULA>
C18H15N3

> <PUBCHEM_MOLECULAR_WEIGHT>
273.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=C2C(=NC3=CC=CC=C3N2C=N1)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=C2C(=NC3=CC=CC=C3N2C=N1)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
30.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
273.126597491

> <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>
1  10  8
1  4  8
1  6  8
11  16  8
11  17  8
12  15  8
13  18  8
15  18  8
16  19  8
17  20  8
19  21  8
2  7  8
2  8  8
20  21  8
3  10  8
3  5  8
4  5  8
4  7  8
6  12  8
6  8  8
8  13  8

$$$$