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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-(2-methoxyethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(2-methoxyethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(2-methoxyethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(2-methoxyethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-(2-methoxyethyl)amino]-1-nicotinoyl-pipecolinamide Formula: C29H38N6O3 MolecularWeight: 518.65042

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=C(C=C1)C#N)C2CCN(C(C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CN=CC=C4

Isomeric SMILES

COCCN(CC1=CC=C(C=C1)C#N)C2CCN([C@H](C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C29H38N6O3/c1-38-16-15-34(20-22-6-4-21(18-30)5-7-22)26-12-14-35(29(37)23-3-2-13-32-19-23)27(17-26)28(36)33-25-10-8-24(31)9-11-25/h2-7,13,19,24-27H,8-12,14-17,20,31H2,1H3,(H,33,36)/t24?,25?,26?,27-/m1/s1