70698661
  -OEChem-05112419192D

 27 29  0     0  0  0  0  0  0999 V2000
    7.7534    2.2605    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1 17  1  0  0  0  0
  2 10  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 21  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  2  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 16  2  0  0  0  0
 13 22  1  0  0  0  0
 14 17  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70698661

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
325

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIQAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFixwAAAHwAQAAAACAiBlgw30JfMEACoASVzdACCgC03EqAJ2AG4dMiIaHrA2bGUIYholALIyWcYAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-ethyl-7-fluoro-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-ethyl-7-fluoro-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-ethyl-7-fluoro-5<I>H</I>-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_NAME>
3-ethyl-7-fluoro-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-ethyl-7-fluoranyl-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-ethyl-7-fluoro-5H-imidazo[1,5-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H10FN3O/c1-2-8-11-12(17)15-9-5-7(13)3-4-10(9)16(11)6-14-8/h3-6H,2H2,1H3,(H,15,17)

> <PUBCHEM_IUPAC_INCHIKEY>
IBNKUDOPOUWKSO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
231.08079011

> <PUBCHEM_MOLECULAR_FORMULA>
C12H10FN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
231.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=C2C(=O)NC3=C(N2C=N1)C=CC(=C3)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=C2C(=O)NC3=C(N2C=N1)C=CC(=C3)F

> <PUBCHEM_CACTVS_TPSA>
46.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
231.08079011

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
13  16  8
14  17  8
16  17  8
3  12  8
3  6  8
3  7  8
4  10  8
4  9  8
5  12  8
5  8  8
6  10  8
6  8  8
7  13  8
7  9  8
9  14  8

$$$$