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

Systemtic Name: 4-[[5-[[2-but-2-ynyl-4-(3-methylphenyl)-5-oxidanylidene-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[2-but-2-ynyl-4-(m-tolyl)-5-oxo-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[2-but-2-ynyl-4-(3-methylphenyl)-5-oxo-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[2-but-2-ynyl-4-(3-methylphenyl)-5-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[2-but-2-ynyl-5-keto-4-(m-tolyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O/c1-3-4-7-25-18-32(24-8-5-6-21(2)13-24)27(33)19-30(25)17-26-15-29-20-31(26)16-23-11-9-22(14-28)10-12-23/h5-6,8-13,15,20,25H,7,16-19H2,1-2H3