67107308
  -OEChem-04262423492D

 49 52  0     0  0  0  0  0  0999 V2000
    6.9856    1.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3607    0.8956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7502    2.6889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6499   -0.2612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785   -3.2384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7800    2.3229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6964    2.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2800    3.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7502    3.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6964    3.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    3.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842    2.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842    4.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0071    1.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0181    2.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0181    3.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3392    0.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7800    4.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7800    2.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820   -1.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464   -2.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035   -0.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2927   -1.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3357   -1.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249   -2.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7800    4.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2800    3.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -4.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8890    4.5830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842    1.5689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842    4.8089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4812    2.3789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4812    3.9989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4700    4.5919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4700    1.7859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2566   -0.3890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8109   -0.2099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8994   -2.0838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7290   -1.4157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8175   -3.2896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0900    4.5919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000    3.1889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6998   -4.3815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4818   -4.7782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8785   -3.9963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279   -2.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933   -2.9043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721   -3.6388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 17  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 17  1  0  0  0  0
  4 20  1  0  0  0  0
  4 37  1  0  0  0  0
  5 21  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 19  1  0  0  0  0
  6 27  2  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 30  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 15  2  0  0  0  0
 12 31  1  0  0  0  0
 13 16  2  0  0  0  0
 13 32  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 18 26  2  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67107308

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
587

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB/AAAHgAQAAAADAzBngQ+wLPMGACoA7V3VACCgCA3AiAI2CG4ZNgIIPrA1bGEIQhglADIyQcYicCegACAAAAAAAAAAQAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-(dimethylamino)phenyl]-2-oxo-2-[2-(3-pyridyl)indolizin-3-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-(dimethylamino)phenyl]-2-oxo-2-[2-(3-pyridinyl)-3-indolizinyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-(dimethylamino)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-[4-(dimethylamino)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(dimethylamino)phenyl]-2-oxidanylidene-2-(2-pyridin-3-ylindolizin-3-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(dimethylamino)phenyl]-2-keto-2-[2-(3-pyridyl)indolizin-3-yl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H20N4O2/c1-26(2)18-10-8-17(9-11-18)25-23(29)22(28)21-20(16-6-5-12-24-15-16)14-19-7-3-4-13-27(19)21/h3-15H,1-2H3,(H,25,29)

> <PUBCHEM_IUPAC_INCHIKEY>
ZVRDMMJZAQITFH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
384.15862589

> <PUBCHEM_MOLECULAR_FORMULA>
C23H20N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
384.4

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

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

> <PUBCHEM_CACTVS_TPSA>
66.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
384.15862589

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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  18  8
11  19  8
12  15  8
13  16  8
15  16  8
18  26  8
20  22  8
20  23  8
21  24  8
21  25  8
22  24  8
23  25  8
26  27  8
3  12  8
3  7  8
3  9  8
6  19  8
6  27  8
7  8  8
8  10  8
9  10  8
9  13  8

$$$$