(2R)-N-(4-azanylcyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-(4-nitrobenzyl)amino]-1-nicotinoyl-pipecolinamide Formula: C28H36N6O4 MolecularWeight: 520.62324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2CC(CCN2C(=O)C3=CN=CC=C3)N(CC4=CC=C(C=C4)[N+](=O)[O-])C5CC5

Isomeric SMILES

C1CC(CCC1N)NC(=O)[C@H]2CC(CCN2C(=O)C3=CN=CC=C3)N(CC4=CC=C(C=C4)[N+](=O)[O-])C5CC5

InChI

InChI=1S/C28H36N6O4/c29-21-5-7-22(8-6-21)31-27(35)26-16-25(13-15-32(26)28(36)20-2-1-14-30-17-20)33(23-11-12-23)18-19-3-9-24(10-4-19)34(37)38/h1-4,9-10,14,17,21-23,25-26H,5-8,11-13,15-16,18,29H2,(H,31,35)/t21?,22?,25?,26-/m1/s1