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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[cyclopropyl-(phenylmethyl)amino]-1-(4-fluorophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[benzyl(cyclopropyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[cyclopropyl-(phenylmethyl)amino]-1-[(4-fluorophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[benzyl(cyclopropyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[benzyl(cyclopropyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide Formula: C28H35FN4O2 MolecularWeight: 478.601503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2CC(CN2C(=O)C3=CC=C(C=C3)F)N(CC4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2CC(CN2C(=O)C3=CC=C(C=C3)F)N(CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C28H35FN4O2/c29-21-8-6-20(7-9-21)28(35)33-18-25(32(24-14-15-24)17-19-4-2-1-3-5-19)16-26(33)27(34)31-23-12-10-22(30)11-13-23/h1-9,22-26H,10-18,30H2,(H,31,34)