6-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-piperazin-1-yl]pyridine-3-carboxamide

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-piperazin-1-yl]pyridine-3-carboxamide Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-piperazin-1-yl]pyridine-3-carboxamide CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxamide Traditional Name: 6-(3-keto-4-piperonyl-piperazino)nicotinamide Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=NC=C(C=C2)C(=O)N)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(C(=O)CN1C2=NC=C(C=C2)C(=O)N)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N4O4/c19-18(24)13-2-4-16(20-8-13)21-5-6-22(17(23)10-21)9-12-1-3-14-15(7-12)26-11-25-14/h1-4,7-8H,5-6,9-11H2,(H2,19,24)