4-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyridin-4-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyridin-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-[oxo(pyridin-4-yl)methyl]-2-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide Traditional Name: 1-isonicotinoyl-N-methyl-4-piperonyl-piperazine-2-carboxamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1C(=O)C2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CNC(=O)C1CN(CCN1C(=O)C2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N4O4/c1-21-19(25)16-12-23(11-14-2-3-17-18(10-14)28-13-27-17)8-9-24(16)20(26)15-4-6-22-7-5-15/h2-7,10,16H,8-9,11-13H2,1H3,(H,21,25)