N-(4-azanylcyclohexyl)-1-(4-methylphenyl)carbonyl-4-[phenethyl-(phenylmethyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-methylphenyl)carbonyl-4-[phenethyl-(phenylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-methylphenyl)-oxomethyl]-4-[phenethyl-(phenylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C34H42N4O2 MolecularWeight: 538.72288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C34H42N4O2/c1-25-12-14-28(15-13-25)34(40)38-24-31(22-32(38)33(39)36-30-18-16-29(35)17-19-30)37(23-27-10-6-3-7-11-27)21-20-26-8-4-2-5-9-26/h2-15,29-32H,16-24,35H2,1H3,(H,36,39)