4-[[4-[1-(2-bromophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(2-bromophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(2-bromophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[1-(2-bromophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-(2-bromophenyl)-5-keto-pyrrolidine-3-carbonyl]piperazino]methyl]benzonitrile Formula: C23H23BrN4O2 MolecularWeight: 467.35832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3CC(=O)N(C3)C4=CC=CC=C4Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3CC(=O)N(C3)C4=CC=CC=C4Br

InChI

InChI=1S/C23H23BrN4O2/c24-20-3-1-2-4-21(20)28-16-19(13-22(28)29)23(30)27-11-9-26(10-12-27)15-18-7-5-17(14-25)6-8-18/h1-8,19H,9-13,15-16H2