(2R)-N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[phenethyl-(phenylmethyl)amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[phenethyl-(phenylmethyl)amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[phenethyl-(phenylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-(cyclopropanecarbonyl)pipecolinamide Formula: C31H42N4O2 MolecularWeight: 502.69078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)N2CCC(C[C@@H]2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H42N4O2/c32-26-13-15-27(16-14-26)33-30(36)29-21-28(18-20-35(29)31(37)25-11-12-25)34(22-24-9-5-2-6-10-24)19-17-23-7-3-1-4-8-23/h1-10,25-29H,11-22,32H2,(H,33,36)/t26?,27?,28?,29-/m1/s1