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

Systemtic Name: 4-[[5-[[4-(2,3-dimethylphenyl)-3-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(2,3-dimethylphenyl)-3-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-(2,3-dimethylphenyl)-3-oxo-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(2,3-dimethylphenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(2,3-dimethylphenyl)-3-keto-piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C24H25N5O MolecularWeight: 399.4882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2=O)CC3=CN=CN3CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2=O)CC3=CN=CN3CC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C24H25N5O/c1-18-4-3-5-23(19(18)2)29-11-10-27(16-24(29)30)15-22-13-26-17-28(22)14-21-8-6-20(12-25)7-9-21/h3-9,13,17H,10-11,14-16H2,1-2H3