44224686
  -OEChem-05072417012D

 34 37  0     0  0  0  0  0  0999 V2000
    6.3981   -0.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1660   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1660   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2649   -1.6565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5834   -2.4710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0584   -3.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2737   -3.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7486   -2.4710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.4716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.8376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.6499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.0159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    2.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    2.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 26  1  0  0  0  0
 12 15  1  0  0  0  0
 12 27  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44224686

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
421

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAAAAAAAAAAAAAAGAAAAAAAAAAwYIAAAAAAAACBQAAAHgAAAAAADCjBmAQwwIMAAACoAyVyVACCAAAhAgAIiAEodJgIYLLAlZGUIAhghgDIyAcYiICOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-cyclopropyl-3-phenyl-quinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-cyclopropyl-3-phenyl-2-quinoxalinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-cyclopropyl-3-phenylquinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
1-cyclopropyl-3-phenylquinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-cyclopropyl-3-phenyl-quinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-cyclopropyl-3-phenyl-quinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H14N2O/c20-17-16(12-6-2-1-3-7-12)18-14-8-4-5-9-15(14)19(17)13-10-11-13/h1-9,13H,10-11H2

> <PUBCHEM_IUPAC_INCHIKEY>
HPYXGTPLUYLONC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
262.110613074

> <PUBCHEM_MOLECULAR_FORMULA>
C17H14N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
262.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
32.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
262.110613074

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
11  14  8
12  15  8
13  16  8
13  17  8
14  15  8
16  18  8
17  19  8
18  20  8
19  20  8
2  7  8
2  8  8
3  10  8
3  9  8
7  11  8
7  9  8
8  10  8
9  12  8

$$$$