4-[2-[4-(3-bromophenyl)-3-oxidanylidene-piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(3-bromophenyl)-3-oxidanylidene-piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-[4-(3-bromophenyl)-3-oxo-piperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile CAS Name: 4-[2-[4-(3-bromophenyl)-3-oxo-1-piperazinyl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile IUPAC Name: 4-[2-[4-(3-bromophenyl)-3-oxopiperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Traditional Name: 4-[2-[4-(3-bromophenyl)-3-keto-piperazino]-2-(1H-imidazol-5-yl)ethyl]benzonitrile Formula: C22H20BrN5O MolecularWeight: 450.3311

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(C(=O)CN1C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H20BrN5O/c23-18-2-1-3-19(11-18)28-9-8-27(14-22(28)29)21(20-13-25-15-26-20)10-16-4-6-17(12-24)7-5-16/h1-7,11,13,15,21H,8-10,14H2,(H,25,26)