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

Systemtic Name: 2-[4-(3-bromophenyl)carbonylpiperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(3-bromobenzoyl)piperazin-1-yl]acetonitrile CAS Name: 2-[4-[(3-bromophenyl)-oxomethyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(3-bromobenzoyl)piperazin-1-yl]acetonitrile Traditional Name: 2-[4-(3-bromobenzoyl)piperazino]acetonitrile Formula: C13H14BrN3O MolecularWeight: 308.17376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrN3O/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