(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(p-tolylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-(4,6-dimethyl-2-pyrimidinyl)-N-[(4-methylphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methylbenzyl)nipecotamide Formula: C20H26N4O MolecularWeight: 338.44664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H]2CCCN(C2)C3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H26N4O/c1-14-6-8-17(9-7-14)12-21-19(25)18-5-4-10-24(13-18)20-22-15(2)11-16(3)23-20/h6-9,11,18H,4-5,10,12-13H2,1-3H3,(H,21,25)/t18-/m0/s1