70698658
  -OEChem-05132409032D

 27 29  0     0  0  0  0  0  0999 V2000
    5.1014   -2.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2354    0.2154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.7846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7056   -0.2846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2354   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014    0.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -1.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.2154    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
    2.9785   -2.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892    0.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0854    1.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8774    0.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9834    2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8855    1.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9991   -2.6595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5923   -2.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966    1.1094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5044   -1.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449    2.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4108    0.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721   -1.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933   -2.3740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279   -2.8528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9810    2.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4236    2.0717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  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  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  2  0  0  0  0
  5  7  2  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 10  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 15  1  0  0  0  0
 12 21  1  0  0  0  0
 13 16  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70698658

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
294

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFixwAAAHgAQAAAACAiBlgQ30JfMEACoASVzdACCgC03EqAJ2AG4dMiIaHrA2bGUIYholALIyWcYAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-ethyl-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-ethyl-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-ethyl-5<I>H</I>-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_NAME>
3-ethyl-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-ethyl-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-ethyl-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H11N3O/c1-2-8-11-12(16)14-9-5-3-4-6-10(9)15(11)7-13-8/h3-7H,2H2,1H3,(H,14,16)

> <PUBCHEM_IUPAC_INCHIKEY>
RTVCYOHWBCFBQP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
213.090211983

> <PUBCHEM_MOLECULAR_FORMULA>
C12H11N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
213.23

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

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

> <PUBCHEM_CACTVS_TPSA>
46.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
213.090211983

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
12  15  8
13  16  8
15  16  8
2  11  8
2  5  8
2  6  8
3  8  8
3  9  8
4  11  8
4  7  8
5  7  8
5  9  8
6  12  8
6  8  8
8  13  8

$$$$