(phenylmethyl) 4-[[4-[(1-cyano-2-oxidanylidene-2-pyrrolidin-2-yl-ethyl)amino]cyclohexyl]methyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[4-[(1-cyano-2-oxidanylidene-2-pyrrolidin-2-yl-ethyl)amino]cyclohexyl]methyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[[4-[(1-cyano-2-oxo-2-pyrrolidin-2-yl-ethyl)amino]cyclohexyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[1-cyano-2-oxo-2-(2-pyrrolidinyl)ethyl]amino]cyclohexyl]methyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[4-[(1-cyano-2-oxo-2-pyrrolidin-2-ylethyl)amino]cyclohexyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-[(1-cyano-2-keto-2-pyrrolidin-2-yl-ethyl)amino]cyclohexyl]methyl]piperazine-1-carboxylic acid benzyl ester Formula: C26H37N5O3 MolecularWeight: 467.60368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)C(C#N)NC2CCC(CC2)CN3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(NC1)C(=O)C(C#N)NC2CCC(CC2)CN3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H37N5O3/c27-17-24(25(32)23-7-4-12-28-23)29-22-10-8-20(9-11-22)18-30-13-15-31(16-14-30)26(33)34-19-21-5-2-1-3-6-21/h1-3,5-6,20,22-24,28-29H,4,7-16,18-19H2