N-(4-azanylcyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-(4-methylphenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-(4-methylphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[cyclopropyl-(4-nitrobenzyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C29H37N5O4 MolecularWeight: 519.63518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)[N+](=O)[O-])C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)[N+](=O)[O-])C5CC5

InChI

InChI=1S/C29H37N5O4/c1-19-2-6-21(7-3-19)29(36)33-18-26(16-27(33)28(35)31-23-10-8-22(30)9-11-23)32(24-14-15-24)17-20-4-12-25(13-5-20)34(37)38/h2-7,12-13,22-24,26-27H,8-11,14-18,30H2,1H3,(H,31,35)