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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]propanenitrile Openeye Name: 3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]propanenitrile CAS Name: 3-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]propanenitrile Traditional Name: 3-(4-piperonyloylpiperazino)propionitrile Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCN1CCC#N)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H17N3O3/c16-4-1-5-17-6-8-18(9-7-17)15(19)12-2-3-13-14(10-12)21-11-20-13/h2-3,10H,1,5-9,11H2