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

Systemtic Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxidanylidene-piperazin-1-yl]methyl]-2-methyl-imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxo-piperazin-1-yl]methyl]-2-methyl-imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxo-1-piperazinyl]methyl]-2-methyl-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl]-2-methylimidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(3-chlorophenyl)-3-keto-piperazino]methyl]-2-methyl-imidazol-1-yl]methyl]benzonitrile Formula: C23H22ClN5O MolecularWeight: 419.90668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC2=CC=C(C=C2)C#N)CN3CCN(C(=O)C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=NC=C(N1CC2=CC=C(C=C2)C#N)CN3CCN(C(=O)C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H22ClN5O/c1-17-26-13-22(29(17)14-19-7-5-18(12-25)6-8-19)15-27-9-10-28(23(30)16-27)21-4-2-3-20(24)11-21/h2-8,11,13H,9-10,14-16H2,1H3