69042740
  -OEChem-04262421362D

 35 37  0     0  0  0  0  0  0999 V2000
    6.8335   -0.5057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2086   -0.8376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978   -1.9943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    1.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    2.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    1.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    2.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    2.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871   -1.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    1.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    2.8498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.2658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    0.0528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    2.8587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.9927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.0812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379    0.0528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379    2.8587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7479    1.4558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0837   -2.4558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1044   -2.1222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 20  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4 20  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  2  0  0  0  0
  9 23  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 20  1  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  2  0  0  0  0
 18 31  1  0  0  0  0
 19 21  1  0  0  0  0
 19 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69042740

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
417

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgAQAAAADAzBngQ+wLNMGACoA7V3VACCgCA3AiAI2CG4ZNgIIPrA1bGEIQhggADIyQcYicCegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(6-methyl-2-phenyl-indolizin-3-yl)-2-oxo-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(6-methyl-2-phenyl-3-indolizinyl)-2-oxoacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(6-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide

> <PUBCHEM_IUPAC_NAME>
2-(6-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(6-methyl-2-phenyl-indolizin-3-yl)-2-oxidanylidene-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-keto-2-(6-methyl-2-phenyl-indolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H14N2O2/c1-11-7-8-13-9-14(12-5-3-2-4-6-12)15(19(13)10-11)16(20)17(18)21/h2-10H,1H3,(H2,18,21)

> <PUBCHEM_IUPAC_INCHIKEY>
ANJOTLLFUVAIBY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
278.105527694

> <PUBCHEM_MOLECULAR_FORMULA>
C17H14N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
278.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CN2C(=CC(=C2C(=O)C(=O)N)C3=CC=CC=C3)C=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CN2C(=CC(=C2C(=O)C(=O)N)C3=CC=CC=C3)C=C1

> <PUBCHEM_CACTVS_TPSA>
64.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
278.105527694

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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
10  16  8
11  13  8
12  13  8
15  18  8
16  19  8
18  21  8
19  21  8
3  5  8
3  6  8
3  9  8
5  11  8
5  8  8
6  7  8
7  8  8
9  12  8

$$$$