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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]acetonitrile CAS Name: 2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]acetonitrile Traditional Name: 2-(4-piperonyloylpiperazino)acetonitrile Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#N)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCN1CC#N)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H15N3O3/c15-3-4-16-5-7-17(8-6-16)14(18)11-1-2-12-13(9-11)20-10-19-12/h1-2,9H,4-8,10H2