2-[4-(phenylmethyl)piperazin-1-yl]propanenitrile

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]propanenitrile Openeye Name: 2-(4-benzylpiperazin-1-yl)propanenitrile CAS Name: 2-[4-(phenylmethyl)-1-piperazinyl]propanenitrile IUPAC Name: 2-(4-benzylpiperazin-1-yl)propanenitrile Traditional Name: 2-(4-benzylpiperazino)propionitrile Formula: C14H19N3 MolecularWeight: 229.32076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)N1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C#N)N1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C14H19N3/c1-13(11-15)17-9-7-16(8-10-17)12-14-5-3-2-4-6-14/h2-6,13H,7-10,12H2,1H3