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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)N2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=NC(=NC=C1)N2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H28N4O3/c1-15-6-10-23-21(24-15)25-12-8-17(9-13-25)20(26)22-11-7-16-4-5-18(27-2)19(14-16)28-3/h4-6,10,14,17H,7-9,11-13H2,1-3H3,(H,22,26)