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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-(3-keto-4-piperonyl-piperazino)nicotinonitrile Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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