(2R)-N-(2-azanylethyl)-4-[(2-methylphenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(2-methylphenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[o-tolylmethyl(phenethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(2-methylbenzyl)-phenethyl-amino]-1-nicotinoyl-pipecolinamide Formula: C30H37N5O2 MolecularWeight: 499.64708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CCN(C(C3)C(=O)NCCN)C(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C30H37N5O2/c1-23-8-5-6-11-26(23)22-34(18-13-24-9-3-2-4-10-24)27-14-19-35(28(20-27)29(36)33-17-15-31)30(37)25-12-7-16-32-21-25/h2-12,16,21,27-28H,13-15,17-20,22,31H2,1H3,(H,33,36)/t27?,28-/m1/s1