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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-phenethyl-amino]-1-nicotinoyl-pipecolinamide Formula: C34H40N6O2 MolecularWeight: 564.7204

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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)C#N

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)C#N

InChI

InChI=1S/C34H40N6O2/c35-22-26-8-10-27(11-9-26)24-39(19-16-25-5-2-1-3-6-25)31-17-20-40(34(42)28-7-4-18-37-23-28)32(21-31)33(41)38-30-14-12-29(36)13-15-30/h1-11,18,23,29-32H,12-17,19-21,24,36H2,(H,38,41)/t29?,30?,31?,32-/m1/s1