4-[[4-[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(4-bromophenyl)-4-oxo-butanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[4-(4-bromophenyl)-1,4-dioxobutyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(4-bromophenyl)-4-oxobutanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(4-bromophenyl)-4-keto-butanoyl]piperazino]methyl]benzonitrile Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O2/c23-20-7-5-19(6-8-20)21(27)9-10-22(28)26-13-11-25(12-14-26)16-18-3-1-17(15-24)2-4-18/h1-8H,9-14,16H2