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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-(3-methoxyphenyl)carbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-(3-methoxybenzoyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-[(3-methoxyphenyl)-oxomethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-(3-methoxybenzoyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-cyclopropyl-amino]-1-m-anisoyl-pipecolinamide Formula: C31H39N5O3 MolecularWeight: 529.67306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)C#N)C5CC5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCC(C[C@@H]2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)C#N)C5CC5

InChI

InChI=1S/C31H39N5O3/c1-39-28-4-2-3-23(17-28)31(38)35-16-15-27(18-29(35)30(37)34-25-11-9-24(33)10-12-25)36(26-13-14-26)20-22-7-5-21(19-32)6-8-22/h2-8,17,24-27,29H,9-16,18,20,33H2,1H3,(H,34,37)/t24?,25?,27?,29-/m1/s1