(3S)-N-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-(3,5-dimethylphenyl)-1-(4,6-dimethyl-2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-(3,5-dimethylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)nipecotamide Formula: C20H26N4O MolecularWeight: 338.44664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O/c1-13-8-14(2)10-18(9-13)23-19(25)17-6-5-7-24(12-17)20-21-15(3)11-16(4)22-20/h8-11,17H,5-7,12H2,1-4H3,(H,23,25)/t17-/m0/s1