69089054
  -OEChem-05142413092D

 52 56  0     0  0  0  0  0  0999 V2000
    8.3015    4.0797    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7144   -0.6900    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0797    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0071    0.3861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3822    0.0543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7717    1.8476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6714   -1.1025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7179    1.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3015    2.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7717    2.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0286    0.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056    3.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3607   -0.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0396    1.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0396    2.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8015    3.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8015    1.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035   -1.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6499   -1.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8015    3.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8015    1.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3015    2.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -1.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3142   -2.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9605   -2.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3177   -0.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3572   -2.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464   -3.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9390   -2.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2962   -0.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678   -3.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6069   -1.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9105    3.7417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056    0.7276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056    3.9676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027    1.5376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027    3.1576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4915    3.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4915    0.9447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1115    0.9447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9209   -2.9251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5465   -2.7207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1251    0.0249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9215    2.3476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7505   -2.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8390   -4.1309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1317   -3.0547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7103   -0.3091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2136   -1.8490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3 34  1  0  0  0  0
  4 13  2  0  0  0  0
  5 16  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 16  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
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  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
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 11 36  1  0  0  0  0
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 12 20  1  0  0  0  0
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 14 17  2  0  0  0  0
 14 37  1  0  0  0  0
 15 18  2  0  0  0  0
 15 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 23  1  0  0  0  0
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 27 44  1  0  0  0  0
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 29 33  2  0  0  0  0
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 30 34  2  0  0  0  0
 30 48  1  0  0  0  0
 31 34  1  0  0  0  0
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 32 35  2  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
69089054

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
761

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MYAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFgB9AAAHwAAAAAADAzBngw8wLMMGACoA7V3VACCgCA3AiAI2CG4ZNgIIPrA1bGEIQhghADIyQcYicCegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2,4-difluorophenyl)-2-[2-(3-fluorophenyl)indolizin-3-yl]-2-oxo-N-phenyl-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2,4-difluorophenyl)-2-[2-(3-fluorophenyl)-3-indolizinyl]-2-oxo-N-phenylacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2,4-difluorophenyl)-2-[2-(3-fluorophenyl)indolizin-3-yl]-2-oxo-<I>N</I>-phenylacetamide

> <PUBCHEM_IUPAC_NAME>
N-(2,4-difluorophenyl)-2-[2-(3-fluorophenyl)indolizin-3-yl]-2-oxo-N-phenylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2,4-bis(fluoranyl)phenyl]-2-[2-(3-fluorophenyl)indolizin-3-yl]-2-oxidanylidene-N-phenyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2,4-difluorophenyl)-2-[2-(3-fluorophenyl)indolizin-3-yl]-2-keto-N-phenyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H17F3N2O2/c29-19-8-6-7-18(15-19)23-17-22-11-4-5-14-32(22)26(23)27(34)28(35)33(21-9-2-1-3-10-21)25-13-12-20(30)16-24(25)31/h1-17H

> <PUBCHEM_IUPAC_INCHIKEY>
UDUVHUHSFCFLPZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
7.2

> <PUBCHEM_EXACT_MASS>
470.12421228

> <PUBCHEM_MOLECULAR_FORMULA>
C28H17F3N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
470.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)N(C2=C(C=C(C=C2)F)F)C(=O)C(=O)C3=C(C=C4N3C=CC=C4)C5=CC(=CC=C5)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)N(C2=C(C=C(C=C2)F)F)C(=O)C(=O)C3=C(C=C4N3C=CC=C4)C5=CC(=CC=C5)F

> <PUBCHEM_CACTVS_TPSA>
41.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
470.12421228

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <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  11  8
10  15  8
12  19  8
12  20  8
14  17  8
15  18  8
17  18  8
19  23  8
20  24  8
21  26  8
21  27  8
22  28  8
22  29  8
23  25  8
24  25  8
26  30  8
27  31  8
28  32  8
29  33  8
30  34  8
31  34  8
32  35  8
33  35  8
6  10  8
6  14  8
6  8  8
8  9  8
9  11  8

$$$$