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

Systemtic Name: 4-[[2-[[4-(2,5-dimethylphenyl)-3-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[[4-(2,5-dimethylphenyl)-3-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[2-[[4-(2,5-dimethylphenyl)-3-oxo-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[2-[[4-(2,5-dimethylphenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[2-[[4-(2,5-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=CC(=C(C=C1)C)N2CCN(CC2=O)CC3=NC=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

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

InChI

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