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

Systemtic Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]methyl]-1H-imidazol-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxo-piperazin-1-yl]methyl]-1H-imidazol-2-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxo-1-piperazinyl]methyl]-1H-imidazol-2-yl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl]-1H-imidazol-2-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(3-chlorophenyl)-3-keto-piperazino]methyl]-1H-imidazol-2-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/c23-18-2-1-3-20(11-18)28-9-8-27(15-22(28)29)14-19-13-25-21(26-19)10-16-4-6-17(12-24)7-5-16/h1-7,11,13H,8-10,14-15H2,(H,25,26)