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

Systemtic Name: 4-[[5-[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]carbonylimidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[4-(3-chlorophenyl)-3-oxo-piperazine-1-carbonyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxo-1-piperazinyl]-oxomethyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[4-(3-chlorophenyl)-3-keto-piperazine-1-carbonyl]imidazol-1-yl]methyl]benzonitrile Formula: C22H18ClN5O2 MolecularWeight: 419.86362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)C2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(C(=O)CN1C(=O)C2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H18ClN5O2/c23-18-2-1-3-19(10-18)28-9-8-26(14-21(28)29)22(30)20-12-25-15-27(20)13-17-6-4-16(11-24)5-7-17/h1-7,10,12,15H,8-9,13-14H2