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

Systemtic Name: 4-[[5-[4-(3-chlorophenyl)piperazin-1-yl]carbonylimidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[4-(3-chlorophenyl)piperazine-1-carbonyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[4-(3-chlorophenyl)piperazine-1-carbonyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[4-(3-chlorophenyl)piperazine-1-carbonyl]imidazol-1-yl]methyl]benzonitrile Formula: C22H20ClN5O MolecularWeight: 405.8801

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

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