54078878
  -OEChem-04252404382D

 32 34  0     1  0  0  0  0  0999 V2000
    3.7817    1.9396    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1192    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3961    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.7496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.7379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 17  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 22  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 24  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 25  1  0  0  0  0
 16 20  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 27  1  0  0  0  0
 19 21  2  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54078878

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
437

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIYAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHwAQAAAADCjBmAwwwILAAACoAyVyVACCAAAhAgAIiIG4dJgIYLLAkbGUIAhgkADIyAcYiICOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,7-difluoro-3-phenyl-1,2-dihydroquinoxaline-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5,7-difluoro-3-phenyl-1,2-dihydroquinoxaline-2-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,7-difluoro-3-phenyl-1,2-dihydroquinoxaline-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
5,7-difluoro-3-phenyl-1,2-dihydroquinoxaline-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,7-bis(fluoranyl)-3-phenyl-1,2-dihydroquinoxaline-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,7-difluoro-3-phenyl-1,2-dihydroquinoxaline-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H11F2N3O/c16-9-6-10(17)13-11(7-9)19-14(15(18)21)12(20-13)8-4-2-1-3-5-8/h1-7,14,19H,(H2,18,21)

> <PUBCHEM_IUPAC_INCHIKEY>
MLQYNPSCRDYAQK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
287.08701831

> <PUBCHEM_MOLECULAR_FORMULA>
C15H11F2N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
287.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3F)F)NC2C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3F)F)NC2C(=O)N

> <PUBCHEM_CACTVS_TPSA>
67.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
287.08701831

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  14  8
11  15  8
11  16  8
13  17  8
14  18  8
15  19  8
16  20  8
17  18  8
19  21  8
20  21  8
7  12  3
9  10  8
9  13  8

$$$$