68826630
  -OEChem-05142401502D

 47 50  0     0  0  0  0  0  0999 V2000
    3.3426    0.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.4831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -1.0055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.5786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639   -1.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854   -1.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746   -2.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3176   -2.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067   -3.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6282   -3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    3.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    3.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    3.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    2.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7713   -1.1604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -0.9683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4590   -1.2159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -3.1882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8215   -2.4083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9350   -1.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7706   -2.5799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3755   -4.0198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1331   -3.7722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0144   -3.3257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -3.8580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2384   -1.1333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    3.8386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.2546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    3.8476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    1.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    3.8476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819    2.4446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 14  2  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 38  1  0  0  0  0
  4 13  1  0  0  0  0
  4 16  1  0  0  0  0
  4 19  1  0  0  0  0
  5 24  1  0  0  0  0
  5 26  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 39  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  2  0  0  0  0
 19 21  2  0  0  0  0
 19 40  1  0  0  0  0
 20 22  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 25  2  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68826630

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
517

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB+AAAHgAQAAAADCzBngQ8wLPMGACoA7V3VACCgCA3AiAI2KG4ZNgIIPrA1bGEIQhglgDIyQcYicCegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclohexyl-2-oxo-2-[2-(3-pyridinyl)-3-indolizinyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclohexyl-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-cyclohexyl-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclohexyl-2-oxidanylidene-2-(2-pyridin-3-ylindolizin-3-yl)ethanamide

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H21N3O2/c25-20(21(26)23-16-8-2-1-3-9-16)19-18(15-7-6-11-22-14-15)13-17-10-4-5-12-24(17)19/h4-7,10-14,16H,1-3,8-9H2,(H,23,26)

> <PUBCHEM_IUPAC_INCHIKEY>
NVGJIFLDAHHHLM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
347.16337692

> <PUBCHEM_MOLECULAR_FORMULA>
C21H21N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
347.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)NC(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CN=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)NC(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CN=CC=C4

> <PUBCHEM_CACTVS_TPSA>
63.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
347.16337692

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
13  15  8
15  17  8
16  17  8
16  20  8
18  23  8
18  24  8
19  21  8
20  22  8
21  22  8
23  25  8
25  26  8
4  13  8
4  16  8
4  19  8
5  24  8
5  26  8

$$$$