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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[phenethyl-(phenylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-1-[oxo(3-pyridinyl)methyl]-4-[phenethyl-(phenylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-nicotinoyl-pipecolinamide Formula: C33H41N5O2 MolecularWeight: 539.71094

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C33H41N5O2/c34-28-13-15-29(16-14-28)36-32(39)31-22-30(18-21-38(31)33(40)27-12-7-19-35-23-27)37(24-26-10-5-2-6-11-26)20-17-25-8-3-1-4-9-25/h1-12,19,23,28-31H,13-18,20-22,24,34H2,(H,36,39)/t28?,29?,30?,31-/m1/s1