(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethyl-6-methyl-phenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethyl-6-methyl-phenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethyl-6-methyl-phenyl)piperidine-3-carboxamide CAS Name: (3S)-1-(4,6-dimethyl-2-pyrimidinyl)-N-(2-ethyl-6-methylphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethyl-6-methyl-phenyl)nipecotamide Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CCCN(C2)C3=NC(=CC(=N3)C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@H]2CCCN(C2)C3=NC(=CC(=N3)C)C)C

InChI

InChI=1S/C21H28N4O/c1-5-17-9-6-8-14(2)19(17)24-20(26)18-10-7-11-25(13-18)21-22-15(3)12-16(4)23-21/h6,8-9,12,18H,5,7,10-11,13H2,1-4H3,(H,24,26)/t18-/m0/s1