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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-(4-methylphenyl)carbonyl-4-[(2-methylphenyl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-4-[o-tolylmethyl(phenethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(2-methylphenyl)methyl-phenethylamino]-1-[(4-methylphenyl)-oxomethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-4-[(2-methylphenyl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(2-methylbenzyl)-phenethyl-amino]-1-p-toluoyl-pipecolinamide Formula: C36H46N4O2 MolecularWeight: 566.77604

Click to see the large picture

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=CC=C5C

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=CC=C5C

InChI

InChI=1S/C36H46N4O2/c1-26-12-14-29(15-13-26)36(42)40-23-21-33(24-34(40)35(41)38-32-18-16-31(37)17-19-32)39(22-20-28-9-4-3-5-10-28)25-30-11-7-6-8-27(30)2/h3-15,31-34H,16-25,37H2,1-2H3,(H,38,41)/t31?,32?,33?,34-/m1/s1