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

Systemtic Name: 4-[[2-[[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]-2-methoxy-benzenecarbonitrile Openeye Name: 4-[[2-[[4-(3-chlorophenyl)-3-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]-2-methoxy-benzonitrile CAS Name: 4-[[2-[[4-(3-chlorophenyl)-3-oxo-1-piperazinyl]methyl]-1-imidazolyl]methyl]-2-methoxybenzonitrile IUPAC Name: 4-[[2-[[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]-2-methoxybenzonitrile Traditional Name: 4-[[2-[[4-(3-chlorophenyl)-3-keto-piperazino]methyl]imidazol-1-yl]methyl]-2-methoxy-benzonitrile Formula: C23H22ClN5O2 MolecularWeight: 435.90608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2C=CN=C2CN3CCN(C(=O)C3)C4=CC(=CC=C4)Cl)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)CN2C=CN=C2CN3CCN(C(=O)C3)C4=CC(=CC=C4)Cl)C#N

InChI

InChI=1S/C23H22ClN5O2/c1-31-21-11-17(5-6-18(21)13-25)14-28-8-7-26-22(28)15-27-9-10-29(23(30)16-27)20-4-2-3-19(24)12-20/h2-8,11-12H,9-10,14-16H2,1H3