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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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