4-[[4-[[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[[4-(3-chlorophenyl)-3-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-(3-chlorophenyl)-3-oxo-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[4-[[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[[4-(3-chlorophenyl)-3-keto-piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C22H20ClN5O MolecularWeight: 405.8801

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC2=CN(C=N2)CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(C(=O)CN1CC2=CN(C=N2)CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H20ClN5O/c23-19-2-1-3-21(10-19)28-9-8-26(15-22(28)29)13-20-14-27(16-25-20)12-18-6-4-17(11-24)5-7-18/h1-7,10,14,16H,8-9,12-13,15H2