2-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-piperazin-1-yl]pyridine-3-carboxamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-piperazin-1-yl]pyridine-3-carboxamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-piperazin-1-yl]pyridine-3-carboxamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxamide Traditional Name: 2-(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=C(C=CC=N2)C(=O)N)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(C(=O)CN1C2=C(C=CC=N2)C(=O)N)CC3=CC4=C(C=C3)OCO4

InChI

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