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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxopiperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-(3-keto-4-piperonyl-piperazino)isonicotinonitrile Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3/c19-9-13-3-4-20-17(8-13)21-5-6-22(18(23)11-21)10-14-1-2-15-16(7-14)25-12-24-15/h1-4,7-8H,5-6,10-12H2