N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methyl-2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide Traditional Name: 1-(4-methylpyrimidin-2-yl)-N-piperonyl-isonipecotamide Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)N2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1)N2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H22N4O3/c1-13-4-7-20-19(22-13)23-8-5-15(6-9-23)18(24)21-11-14-2-3-16-17(10-14)26-12-25-16/h2-4,7,10,15H,5-6,8-9,11-12H2,1H3,(H,21,24)