2-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetonitrile CAS Name: 2-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetonitrile Traditional Name: 2-[4-(3-chlorobenzoyl)piperazino]acetonitrile Formula: C13H14ClN3O MolecularWeight: 263.72276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#N)C(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

C1CN(CCN1CC#N)C(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H14ClN3O/c14-12-3-1-2-11(10-12)13(18)17-8-6-16(5-4-15)7-9-17/h1-3,10H,5-9H2