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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide Traditional Name: N-homoveratryl-1-(4-methylpyrimidin-2-yl)nipecotamide Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)N2CCCC(C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=NC(=NC=C1)N2CCCC(C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H28N4O3/c1-15-8-10-23-21(24-15)25-12-4-5-17(14-25)20(26)22-11-9-16-6-7-18(27-2)19(13-16)28-3/h6-8,10,13,17H,4-5,9,11-12,14H2,1-3H3,(H,22,26)