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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-(4-methylphenyl)carbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-[(4-methylphenyl)-oxomethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-(4-methylbenzoyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-cyanobenzyl)-phenethyl-amino]-1-p-toluoyl-pipecolinamide Formula: C36H43N5O2 MolecularWeight: 577.75892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC=C(C=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/C36H43N5O2/c1-26-7-13-30(14-8-26)36(43)41-22-20-33(23-34(41)35(42)39-32-17-15-31(38)16-18-32)40(21-19-27-5-3-2-4-6-27)25-29-11-9-28(24-37)10-12-29/h2-14,31-34H,15-23,25,38H2,1H3,(H,39,42)/t31?,32?,33?,34-/m1/s1