70698651
  -OEChem-05072403562D

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    7.7534    4.0105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014   -3.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2354    1.9654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.9654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7056    1.4654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2354    0.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892    0.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014    0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014    2.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785   -0.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892    2.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0854    3.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8774    2.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2354   -1.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9834    4.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8855    3.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -2.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2354   -2.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014   -2.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -4.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9991   -0.9095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5923   -0.3772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966    2.8594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449    3.8106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4108    2.1560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721    0.1106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933   -0.6240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279   -1.1028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5044   -0.7246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6984   -0.7246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9810    4.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5044   -2.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6984   -2.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6574   -4.5716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5044   -4.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2774   -3.4977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 28  1  0  0  0  0
 15 20  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 21  1  0  0  0  0
 17 33  1  0  0  0  0
 18 22  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 21 23  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70698651

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
429

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IQAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFix9AAAHwAAAAAADAyBng431rcMHACgAyRjZACCiC0xMqAJ2CA+fJiMbuLE+duUNChswBPI6CeQ0OMOIAAAAAAAACBAAAAAAAAAQAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
3-ethyl-7-fluoro-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-ethyl-7-fluoro-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_NAME>
3-ethyl-7-fluoro-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H16FN3O/c1-3-15-19-18(12-4-7-14(24-2)8-5-12)22-16-10-13(20)6-9-17(16)23(19)11-21-15/h4-11H,3H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
WUDGGNUNHKHXIO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
321.12774030

> <PUBCHEM_MOLECULAR_FORMULA>
C19H16FN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
321.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=C2C(=NC3=C(N2C=N1)C=CC(=C3)F)C4=CC=C(C=C4)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=C2C(=NC3=C(N2C=N1)C=CC(=C3)F)C4=CC=C(C=C4)OC

> <PUBCHEM_CACTVS_TPSA>
39.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
321.12774030

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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
13  17  8
13  18  8
14  19  8
15  20  8
17  21  8
18  22  8
19  20  8
21  23  8
22  23  8
3  12  8
3  6  8
3  9  8
4  10  8
4  8  8
5  12  8
5  7  8
6  7  8
6  8  8
9  10  8
9  14  8

$$$$