(3S)-N-(3,5-dimethoxyphenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(3,5-dimethoxyphenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-(3,5-dimethoxyphenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-(3,5-dimethoxyphenyl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-(3,5-dimethoxyphenyl)-1-(2-pyrimidyl)nipecotamide Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2CCCN(C2)C3=NC=CC=N3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)[C@H]2CCCN(C2)C3=NC=CC=N3)OC

InChI

InChI=1S/C18H22N4O3/c1-24-15-9-14(10-16(11-15)25-2)21-17(23)13-5-3-8-22(12-13)18-19-6-4-7-20-18/h4,6-7,9-11,13H,3,5,8,12H2,1-2H3,(H,21,23)/t13-/m0/s1