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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-(4-methylphenyl)carbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropyl-amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-[(4-methylphenyl)-oxomethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-cyclopropylamino]-1-(4-methylbenzoyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-cyclopropyl-amino]-1-p-toluoyl-pipecolinamide Formula: C31H39N5O2 MolecularWeight: 513.67366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)C#N)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCC(C[C@@H]2C(=O)NC3CCC(CC3)N)N(CC4=CC=C(C=C4)C#N)C5CC5

InChI

InChI=1S/C31H39N5O2/c1-21-2-8-24(9-3-21)31(38)35-17-16-28(18-29(35)30(37)34-26-12-10-25(33)11-13-26)36(27-14-15-27)20-23-6-4-22(19-32)5-7-23/h2-9,25-29H,10-18,20,33H2,1H3,(H,34,37)/t25?,26?,28?,29-/m1/s1