(phenylmethyl) N-[1-[[4-cyano-1-(phenylmethyl)pyrrolidin-3-yl]carbamoyl]cyclohexyl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[[4-cyano-1-(phenylmethyl)pyrrolidin-3-yl]carbamoyl]cyclohexyl]carbamate Openeye Name: benzyl N-[1-[(1-benzyl-4-cyano-pyrrolidin-3-yl)carbamoyl]cyclohexyl]carbamate CAS Name: N-[1-[[[4-cyano-1-(phenylmethyl)-3-pyrrolidinyl]amino]-oxomethyl]cyclohexyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[(1-benzyl-4-cyanopyrrolidin-3-yl)carbamoyl]cyclohexyl]carbamate Traditional Name: N-[1-[(1-benzyl-4-cyano-pyrrolidin-3-yl)carbamoyl]cyclohexyl]carbamic acid benzyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2CN(CC2C#N)CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(C(=O)NC2CN(CC2C#N)CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3/c28-16-23-18-31(17-21-10-4-1-5-11-21)19-24(23)29-25(32)27(14-8-3-9-15-27)30-26(33)34-20-22-12-6-2-7-13-22/h1-2,4-7,10-13,23-24H,3,8-9,14-15,17-20H2,(H,29,32)(H,30,33)