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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-ethanoyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-nitrobenzyl)-phenethyl-amino]pipecolinamide Formula: C29H39N5O4 MolecularWeight: 521.65106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCC(C[C@@H]1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H39N5O4/c1-21(35)33-18-16-27(19-28(33)29(36)31-25-11-9-24(30)10-12-25)32(17-15-22-5-3-2-4-6-22)20-23-7-13-26(14-8-23)34(37)38/h2-8,13-14,24-25,27-28H,9-12,15-20,30H2,1H3,(H,31,36)/t24?,25?,27?,28-/m1/s1