68829465
  -OEChem-05072410362D

 49 52  0     0  0  0  0  0  0999 V2000
    6.6137    1.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9889    1.2677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8958   -4.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3784    3.0610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2780    0.1110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067   -2.8662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3246    2.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9082    3.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3784    4.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3246    4.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    3.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5123    2.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5123    4.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6352    1.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6463    3.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6463    4.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    4.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    2.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9674    1.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4082    4.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4082    2.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6102   -0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9082    3.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9209   -1.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317   -0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745   -2.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2530   -2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9639   -1.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9173   -3.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2495   -4.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5172    4.9551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5123    1.9410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5123    5.1810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1094    2.7511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1094    4.3710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0982    4.9640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0982    2.1581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7182    4.9640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7182    2.1581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8847   -0.0169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5282    3.5610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5275   -1.7117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4391    0.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4456   -2.9175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3572   -1.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -4.1470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8354   -5.0225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7110   -4.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 19  2  0  0  0  0
  3 29  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 19  1  0  0  0  0
  5 22  1  0  0  0  0
  5 40  1  0  0  0  0
  6 26  1  0  0  0  0
  6 29  1  0  0  0  0
  6 46  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  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 31  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 15  2  0  0  0  0
 12 32  1  0  0  0  0
 13 16  2  0  0  0  0
 13 33  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 20  1  0  0  0  0
 17 36  1  0  0  0  0
 18 21  2  0  0  0  0
 18 37  1  0  0  0  0
 20 23  2  0  0  0  0
 20 38  1  0  0  0  0
 21 23  1  0  0  0  0
 21 39  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 41  1  0  0  0  0
 24 27  1  0  0  0  0
 24 42  1  0  0  0  0
 25 28  2  0  0  0  0
 25 43  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 30  1  0  0  0  0
 30 47  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68829465

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
638

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADAzBngQ+wLPMGACoA7V3VACCgCA3AiAI2CG4ZNgIIPrA1bGEIQhglADIyQcYicCegACAAAAAAAAAAQAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4-acetamidophenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4-acetamidophenyl)-2-oxo-2-(2-phenyl-3-indolizinyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4-acetamidophenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-(4-acetamidophenyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4-acetamidophenyl)-2-oxidanylidene-2-(2-phenylindolizin-3-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4-acetamidophenyl)-2-keto-2-(2-phenylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H19N3O3/c1-16(28)25-18-10-12-19(13-11-18)26-24(30)23(29)22-21(17-7-3-2-4-8-17)15-20-9-5-6-14-27(20)22/h2-15H,1H3,(H,25,28)(H,26,30)

> <PUBCHEM_IUPAC_INCHIKEY>
YSQCWVNRNWVRPY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
397.14264148

> <PUBCHEM_MOLECULAR_FORMULA>
C24H19N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
397.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1=CC=C(C=C1)NC(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC1=CC=C(C=C1)NC(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
79.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
397.14264148

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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  17  8
11  18  8
12  15  8
13  16  8
15  16  8
17  20  8
18  21  8
20  23  8
21  23  8
22  24  8
22  25  8
24  27  8
25  28  8
26  27  8
26  28  8
4  12  8
4  7  8
4  9  8
7  8  8
8  10  8
9  10  8
9  13  8

$$$$