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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-nitrophenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-1-nicotinoyl-4-[(4-nitrobenzyl)-phenethyl-amino]pipecolinamide Formula: C33H40N6O4 MolecularWeight: 584.7085

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2CC(CCN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1N)NC(=O)[C@H]2CC(CCN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H40N6O4/c34-27-10-12-28(13-11-27)36-32(40)31-21-30(17-20-38(31)33(41)26-7-4-18-35-22-26)37(19-16-24-5-2-1-3-6-24)23-25-8-14-29(15-9-25)39(42)43/h1-9,14-15,18,22,27-28,30-31H,10-13,16-17,19-21,23,34H2,(H,36,40)/t27?,28?,30?,31-/m1/s1