(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-homoveratryl-1-(2-pyrimidyl)nipecotamide Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3/c1-26-17-7-6-15(13-18(17)27-2)8-11-21-19(25)16-5-3-12-24(14-16)20-22-9-4-10-23-20/h4,6-7,9-10,13,16H,3,5,8,11-12,14H2,1-2H3,(H,21,25)/t16-/m0/s1