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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetonitrile CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetonitrile Traditional Name: 2-(4-piperonylpiperazino)acetonitrile Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#N)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCN1CC#N)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H17N3O2/c15-3-4-16-5-7-17(8-6-16)10-12-1-2-13-14(9-12)19-11-18-13/h1-2,9H,4-8,10-11H2