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

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

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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)NCCN)C(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4=CN=CC=C4

InChI

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