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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-cyclopropyl-amino]-1-nicotinoyl-pipecolinamide Formula: C29H36N6O2 MolecularWeight: 500.63514

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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)C5CC5

Isomeric SMILES

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

InChI

InChI=1S/C29H36N6O2/c30-17-20-3-5-21(6-4-20)19-35(25-11-12-25)26-13-15-34(29(37)22-2-1-14-32-18-22)27(16-26)28(36)33-24-9-7-23(31)8-10-24/h1-6,14,18,23-27H,7-13,15-16,19,31H2,(H,33,36)/t23?,24?,26?,27-/m1/s1