4-[[2-[[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[[4-(3-chlorophenyl)-3-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[2-[[4-(3-chlorophenyl)-3-oxo-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[2-[[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[2-[[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=NC=CN2CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(C(=O)CN1CC2=NC=CN2CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)Cl

InChI

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