3-[4-(phenylcarbonyl)piperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-(phenylcarbonyl)piperazin-1-yl]propanenitrile Openeye Name: 3-(4-benzoylpiperazin-1-yl)propanenitrile CAS Name: 3-(4-benzoyl-1-piperazinyl)propanenitrile IUPAC Name: 3-(4-benzoylpiperazin-1-yl)propanenitrile Traditional Name: 3-(4-benzoylpiperazino)propionitrile Formula: C14H17N3O MolecularWeight: 243.30428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CCC#N)C(=O)C2=CC=CC=C2

InChI

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