3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propanenitrile

Systemtic Name: 3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propanenitrile Openeye Name: 3-(4-benzylpiperazin-1-yl)-3-oxo-propanenitrile CAS Name: 3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propanenitrile IUPAC Name: 3-(4-benzylpiperazin-1-yl)-3-oxopropanenitrile Traditional Name: 3-(4-benzylpiperazino)-3-keto-propionitrile Formula: C14H17N3O MolecularWeight: 243.30428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC#N

InChI

InChI=1S/C14H17N3O/c15-7-6-14(18)17-10-8-16(9-11-17)12-13-4-2-1-3-5-13/h1-5H,6,8-12H2