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

Systemtic Name: 4-[[5-[[2-butyl-4-(2-methylphenyl)-5-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[2-butyl-4-(o-tolyl)-5-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[2-butyl-4-(2-methylphenyl)-5-oxo-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[2-butyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[2-butyl-5-keto-4-(o-tolyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(C(=O)CN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4C

Isomeric SMILES

CCCCC1CN(C(=O)CN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4C

InChI

InChI=1S/C27H31N5O/c1-3-4-8-24-18-32(26-9-6-5-7-21(26)2)27(33)19-30(24)17-25-15-29-20-31(25)16-23-12-10-22(14-28)11-13-23/h5-7,9-13,15,20,24H,3-4,8,16-19H2,1-2H3