901348
  -OEChem-05092408032D

 30 33  0     0  0  0  0  0  0999 V2000
    5.4121   -2.8282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460   -0.3281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -1.3282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5998   -1.6329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0162   -0.8281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4121    0.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460   -1.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5998   -0.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4121   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892    0.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3960    1.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1881    0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2941    1.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961    1.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570    1.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    2.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678    2.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8150   -1.6382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8555    1.5171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7214   -0.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917    2.3611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7343    1.5282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637    1.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966    0.6719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604    3.0834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    2.2117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4752    3.4175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
901348

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
382

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzoAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFix0AAAHgAYAAAADAiBmwAx0IfMEACqAidydACSgCsjAqAdiCCgdJiIaKLAmbGUIAhgnALIyCcQgAAOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-phenyl-5<I>H</I>-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_NAME>
1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10N4O/c20-15-14-18-17-13(10-6-2-1-3-7-10)19(14)12-9-5-4-8-11(12)16-15/h1-9H,(H,16,20)

> <PUBCHEM_IUPAC_INCHIKEY>
WNTCOOOGTSGZLG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
262.08546096

> <PUBCHEM_MOLECULAR_FORMULA>
C15H10N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
262.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=NN=C3N2C4=CC=CC=C4NC3=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=NN=C3N2C4=CC=CC=C4NC3=O

> <PUBCHEM_CACTVS_TPSA>
59.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
262.08546096

> <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  16  8
11  17  8
12  14  8
13  15  8
14  15  8
16  18  8
17  19  8
18  20  8
19  20  8
2  6  8
2  8  8
2  9  8
3  10  8
3  7  8
4  5  8
4  8  8
5  9  8
6  12  8
6  7  8
7  13  8
8  10  8

$$$$