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

Systemtic Name: 4-[[5-[[2-butyl-4-(2,3-dimethylphenyl)-5-oxidanylidene-piperazin-1-yl]methyl]-2-methyl-imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[2-butyl-4-(2,3-dimethylphenyl)-5-oxo-piperazin-1-yl]methyl]-2-methyl-imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[2-butyl-4-(2,3-dimethylphenyl)-5-oxo-1-piperazinyl]methyl]-2-methyl-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[2-butyl-4-(2,3-dimethylphenyl)-5-oxopiperazin-1-yl]methyl]-2-methylimidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[2-butyl-4-(2,3-dimethylphenyl)-5-keto-piperazino]methyl]-2-methyl-imidazol-1-yl]methyl]benzonitrile Formula: C29H35N5O MolecularWeight: 469.6211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(C(=O)CN1CC2=CN=C(N2CC3=CC=C(C=C3)C#N)C)C4=CC=CC(=C4C)C

Isomeric SMILES

CCCCC1CN(C(=O)CN1CC2=CN=C(N2CC3=CC=C(C=C3)C#N)C)C4=CC=CC(=C4C)C

InChI

InChI=1S/C29H35N5O/c1-5-6-9-26-19-34(28-10-7-8-21(2)22(28)3)29(35)20-32(26)18-27-16-31-23(4)33(27)17-25-13-11-24(15-30)12-14-25/h7-8,10-14,16,26H,5-6,9,17-20H2,1-4H3