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

Systemtic Name: 4-[[5-[[2-but-2-ynyl-4-(3-chlorophenyl)-5-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[2-but-2-ynyl-4-(3-chlorophenyl)-5-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[2-but-2-ynyl-4-(3-chlorophenyl)-5-oxo-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[2-but-2-ynyl-4-(3-chlorophenyl)-5-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[2-but-2-ynyl-4-(3-chlorophenyl)-5-keto-piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C26H24ClN5O MolecularWeight: 457.95466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCC1CN(C(=O)CN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC#CCC1CN(C(=O)CN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H24ClN5O/c1-2-3-6-24-17-32(23-7-4-5-22(27)12-23)26(33)18-30(24)16-25-14-29-19-31(25)15-21-10-8-20(13-28)9-11-21/h4-5,7-12,14,19,24H,6,15-18H2,1H3