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

Systemtic Name: 3-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-(2-chlorobenzoyl)piperazin-1-yl]propanenitrile CAS Name: 3-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(2-chlorobenzoyl)piperazin-1-yl]propanenitrile Traditional Name: 3-[4-(2-chlorobenzoyl)piperazino]propionitrile Formula: C14H16ClN3O MolecularWeight: 277.74934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C(=O)C2=CC=CC=C2Cl

Isomeric SMILES

C1CN(CCN1CCC#N)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C14H16ClN3O/c15-13-5-2-1-4-12(13)14(19)18-10-8-17(9-11-18)7-3-6-16/h1-2,4-5H,3,7-11H2