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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-methylphenyl)carbonyl-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[isobutyl-[(4-nitrophenyl)methyl]amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-methylphenyl)-oxomethyl]-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[isobutyl-(4-nitrobenzyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C30H41N5O4 MolecularWeight: 535.67764

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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-])CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H41N5O4/c1-20(2)17-33(18-22-6-14-26(15-7-22)35(38)39)27-16-28(29(36)32-25-12-10-24(31)11-13-25)34(19-27)30(37)23-8-4-21(3)5-9-23/h4-9,14-15,20,24-25,27-28H,10-13,16-19,31H2,1-3H3,(H,32,36)