(3S)-1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(m-tolyl)phenyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(2-ethyl-5-pyrimidinyl)methyl]-N-[3-(3-methylphenyl)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(m-tolyl)phenyl]nipecotamide Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=N1)CN2CCCC(C2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)C

Isomeric SMILES

CCC1=NC=C(C=N1)CN2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)C

InChI

InChI=1S/C26H30N4O/c1-3-25-27-15-20(16-28-25)17-30-12-6-10-23(18-30)26(31)29-24-11-5-9-22(14-24)21-8-4-7-19(2)13-21/h4-5,7-9,11,13-16,23H,3,6,10,12,17-18H2,1-2H3,(H,29,31)/t23-/m0/s1