(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-(4,6-dimethyl-2-pyrimidinyl)-N-(2-ethylphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethylphenyl)nipecotamide Formula: C20H26N4O MolecularWeight: 338.44664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O/c1-4-16-8-5-6-10-18(16)23-19(25)17-9-7-11-24(13-17)20-21-14(2)12-15(3)22-20/h5-6,8,10,12,17H,4,7,9,11,13H2,1-3H3,(H,23,25)/t17-/m0/s1