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

Systemtic Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]-2-phenoxy-benzenecarbonitrile Openeye Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]-2-phenoxy-benzonitrile CAS Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxo-1-piperazinyl]methyl]-1-imidazolyl]methyl]-2-phenoxybenzonitrile IUPAC Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]-2-phenoxybenzonitrile Traditional Name: 4-[[5-[[4-(3-chlorophenyl)-3-keto-piperazino]methyl]imidazol-1-yl]methyl]-2-phenoxy-benzonitrile Formula: C28H24ClN5O2 MolecularWeight: 497.97546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC2=CN=CN2CC3=CC(=C(C=C3)C#N)OC4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(C(=O)CN1CC2=CN=CN2CC3=CC(=C(C=C3)C#N)OC4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H24ClN5O2/c29-23-5-4-6-24(14-23)34-12-11-32(19-28(34)35)18-25-16-31-20-33(25)17-21-9-10-22(15-30)27(13-21)36-26-7-2-1-3-8-26/h1-10,13-14,16,20H,11-12,17-19H2