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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-fluorophenyl)carbonyl-4-[phenethyl-(phenylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-fluorophenyl)-oxomethyl]-4-[phenethyl-(phenylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide Formula: C33H39FN4O2 MolecularWeight: 542.686763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2CC(CN2C(=O)C3=CC=C(C=C3)F)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2CC(CN2C(=O)C3=CC=C(C=C3)F)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C33H39FN4O2/c34-27-13-11-26(12-14-27)33(40)38-23-30(21-31(38)32(39)36-29-17-15-28(35)16-18-29)37(22-25-9-5-2-6-10-25)20-19-24-7-3-1-4-8-24/h1-14,28-31H,15-23,35H2,(H,36,39)