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

Systemtic Name: 4-[[5-[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[4-(3-chlorophenyl)-3-oxo-piperazin-1-yl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[4-(3-chlorophenyl)-3-oxo-1-piperazinyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[4-(3-chlorophenyl)-3-keto-piperazino]imidazol-1-yl]methyl]benzonitrile Formula: C21H18ClN5O MolecularWeight: 391.85352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(C(=O)CN1C2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H18ClN5O/c22-18-2-1-3-19(10-18)27-9-8-25(14-21(27)28)20-12-24-15-26(20)13-17-6-4-16(11-23)5-7-17/h1-7,10,12,15H,8-9,13-14H2