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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-(4-piperonyloylpiperazino)isonicotinonitrile Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3=CC4=C(C=C3)OCO4

InChI

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