Marvin  10090714082D          

 21 23  0  0  0  0            999 V2000
   -0.3188   -0.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7612    0.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0937    1.2330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0937    2.0580    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0937    3.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    3.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    2.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8082    2.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8082    3.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5737    0.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3706    0.9616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5063   -0.0365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0896   -0.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8041   -0.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5186   -0.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2330   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5186   -1.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2330   -1.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9475   -1.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9475   -0.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0896   -1.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3 10  1  0  0  0  0
  3  2  1  0  0  0  0
 10  1  1  0  0  0  0
  1 12  1  0  0  0  0
 12  2  1  0  0  0  0
  3  4  1  0  0  0  0
  7  4  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  1  0  0  0
 13 21  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  2  0  0  0  0
 15 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
> <ID>
CHEBI:40149

> <NAME>
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

> <STAR>
3

> <SYNONYM>
(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE

> <IUPAC_NAME>
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

> <FORMULA>
C17H22N2O2

> <MASS>
286.36886

> <MONOISOTOPIC_MASS>
286.16813

> <CHARGE>
0

> <SMILES>
O=C1C[C@@H](CN1C1CCCCC1)C(=O)Nc1ccccc1

> <INCHI>
InChI=1S/C17H22N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,18,21)/t13-/m0/s1

> <INCHIKEY>
BVUSHGJZBZMDML-ZDUSSCGKSA-N

> <DRUGBANK_ACCESSION>
DB07155

> <PDBECHEM_ACCESSION>
566

$$$$