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

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-(4-methylphenyl)carbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-[(4-methylphenyl)-oxomethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-(4-methylbenzoyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-phenethyl-amino]-1-p-toluoyl-pipecolinamide Formula: C32H37N5O2 MolecularWeight: 523.66848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCC(CC2C(=O)NCCN)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCC(C[C@@H]2C(=O)NCCN)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C32H37N5O2/c1-24-7-13-28(14-8-24)32(39)37-20-16-29(21-30(37)31(38)35-18-17-33)36(19-15-25-5-3-2-4-6-25)23-27-11-9-26(22-34)10-12-27/h2-14,29-30H,15-21,23,33H2,1H3,(H,35,38)/t29?,30-/m1/s1