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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC=C(C=C5)C

InChI

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