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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-(3-methoxyphenyl)carbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-(3-methoxybenzoyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-[(3-methoxyphenyl)-oxomethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-(3-methoxybenzoyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-phenethyl-amino]-1-m-anisoyl-pipecolinamide Formula: C36H43N5O3 MolecularWeight: 593.75832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCC(C[C@@H]2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C36H43N5O3/c1-44-33-9-5-8-29(22-33)36(43)41-21-19-32(23-34(41)35(42)39-31-16-14-30(38)15-17-31)40(20-18-26-6-3-2-4-7-26)25-28-12-10-27(24-37)11-13-28/h2-13,22,30-32,34H,14-21,23,25,38H2,1H3,(H,39,42)/t30?,31?,32?,34-/m1/s1