(2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-(2-thenyl)amino]-1-nicotinoyl-pipecolinamide Formula: C31H36N6O2S MolecularWeight: 556.72154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2CC(CCN2C(=O)C3=CN=CC=C3)N(CC4=CC=C(C=C4)C#N)CC5=CC=CS5

Isomeric SMILES

C1CC(CCC1N)NC(=O)[C@H]2CC(CCN2C(=O)C3=CN=CC=C3)N(CC4=CC=C(C=C4)C#N)CC5=CC=CS5

InChI

InChI=1S/C31H36N6O2S/c32-18-22-5-7-23(8-6-22)20-36(21-28-4-2-16-40-28)27-13-15-37(31(39)24-3-1-14-34-19-24)29(17-27)30(38)35-26-11-9-25(33)10-12-26/h1-8,14,16,19,25-27,29H,9-13,15,17,20-21,33H2,(H,35,38)/t25?,26?,27?,29-/m1/s1