N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyridin-3-ylcarbonyl-piperazine-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C(=O)NCCC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CC(N1)C(=O)NCCC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H22N4O4/c25-19(23-7-5-14-3-4-17-18(10-14)28-13-27-17)16-12-24(9-8-22-16)20(26)15-2-1-6-21-11-15/h1-4,6,10-11,16,22H,5,7-9,12-13H2,(H,23,25)