2353710
  -OEChem-04232405532D

 48 51  0     0  0  0  0  0  0999 V2000
    7.2101    5.5573    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    2.2933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.7552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531   -5.5573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -2.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -3.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639   -4.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    2.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746   -5.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209   -4.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    3.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    2.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    4.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    4.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3715   -2.4494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5359   -1.6694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9385   -2.2179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7742   -2.9978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.8262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819   -0.2062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.4138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    1.2938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3572   -4.2727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0243   -3.4010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8605   -5.8126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5276   -4.9409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0036    3.3222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6707    2.4505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069    4.8621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1739    3.9904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 15  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 15  1  0  0  0  0
  4 21  1  0  0  0  0
  4 40  1  0  0  0  0
  5 22  2  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 17  2  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 18  2  0  0  0  0
 14 37  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 22  1  0  0  0  0
 19 41  1  0  0  0  0
 20 23  2  0  0  0  0
 20 42  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 26  1  0  0  0  0
 24 45  1  0  0  0  0
 25 27  2  0  0  0  0
 25 46  1  0  0  0  0
 26 28  2  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2353710

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
516

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAEAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB/AAAHgIQAAAADArBniQ+wLPMGACoAzV3VACCgCA1ByAI2CE4ZtgIIPrB15GEIYhglADIyUcciMCOgABAAAAAAAAAAIAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4-chlorophenyl)-2-methyl-3-[2-(4-pyridyl)ethyl]indolizine-1-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)-1-indolizinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4-chlorophenyl)-2-methyl-3-[2-(4-pyridyl)ethyl]indolizine-1-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H20ClN3O/c1-16-20(10-5-17-11-13-25-14-12-17)27-15-3-2-4-21(27)22(16)23(28)26-19-8-6-18(24)7-9-19/h2-4,6-9,11-15H,5,10H2,1H3,(H,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
HYYNDJCSIMZIJW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.5

> <PUBCHEM_EXACT_MASS>
389.1294900

> <PUBCHEM_MOLECULAR_FORMULA>
C23H20ClN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
389.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(N2C=CC=CC2=C1C(=O)NC3=CC=C(C=C3)Cl)CCC4=CC=NC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(N2C=CC=CC2=C1C(=O)NC3=CC=C(C=C3)Cl)CCC4=CC=NC=C4

> <PUBCHEM_CACTVS_TPSA>
46.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
389.1294900

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
12  17  8
14  18  8
16  19  8
16  20  8
17  18  8
19  22  8
20  23  8
21  24  8
21  25  8
24  26  8
25  27  8
26  28  8
27  28  8
3  12  8
3  6  8
3  9  8
5  22  8
5  23  8
6  7  8
7  10  8
9  10  8
9  14  8

$$$$