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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-(4-methylphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[2-methoxyethyl-(4-nitrobenzyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C29H39N5O5 MolecularWeight: 537.65046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N5O5/c1-20-3-7-22(8-4-20)29(36)33-19-26(17-27(33)28(35)31-24-11-9-23(30)10-12-24)32(15-16-39-2)18-21-5-13-25(14-6-21)34(37)38/h3-8,13-14,23-24,26-27H,9-12,15-19,30H2,1-2H3,(H,31,35)