4-[[4-(2-bromophenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-bromophenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-bromobenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-bromophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-bromobenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-bromobenzoyl)piperazino]methyl]benzonitrile Formula: C19H18BrN3O MolecularWeight: 384.26972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C19H18BrN3O/c20-18-4-2-1-3-17(18)19(24)23-11-9-22(10-12-23)14-16-7-5-15(13-21)6-8-16/h1-8H,9-12,14H2