(2R)-N-(4-azanylcyclohexyl)-1-(4-methylphenyl)carbonyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-(4-methylphenyl)carbonyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-1-[(4-methylphenyl)-oxomethyl]-4-[(4-nitrophenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-4-[(4-nitrophenyl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-nitrobenzyl)-phenethyl-amino]-1-p-toluoyl-pipecolinamide Formula: C35H43N5O4 MolecularWeight: 597.74702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCC(C[C@@H]2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C35H43N5O4/c1-25-7-11-28(12-8-25)35(42)39-22-20-32(23-33(39)34(41)37-30-15-13-29(36)14-16-30)38(21-19-26-5-3-2-4-6-26)24-27-9-17-31(18-10-27)40(43)44/h2-12,17-18,29-30,32-33H,13-16,19-24,36H2,1H3,(H,37,41)/t29?,30?,32?,33-/m1/s1