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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-fluorophenyl)carbonyl-4-[2-methylpropyl-(phenylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[benzyl(isobutyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-fluorophenyl)-oxomethyl]-4-[2-methylpropyl-(phenylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[benzyl(isobutyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide Formula: C29H39FN4O2 MolecularWeight: 494.643963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CC=C(C=C3)F)C(=O)NC4CCC(CC4)N

Isomeric SMILES

CC(C)CN(CC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CC=C(C=C3)F)C(=O)NC4CCC(CC4)N

InChI

InChI=1S/C29H39FN4O2/c1-20(2)17-33(18-21-6-4-3-5-7-21)26-16-27(28(35)32-25-14-12-24(31)13-15-25)34(19-26)29(36)22-8-10-23(30)11-9-22/h3-11,20,24-27H,12-19,31H2,1-2H3,(H,32,35)