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

Systemtic Name: 4-[[5-[[2-butyl-4-(3-chlorophenyl)-5-oxidanylidene-piperazin-1-yl]methyl]-2-methyl-imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[2-butyl-4-(3-chlorophenyl)-5-oxo-piperazin-1-yl]methyl]-2-methyl-imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[2-butyl-4-(3-chlorophenyl)-5-oxo-1-piperazinyl]methyl]-2-methyl-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[2-butyl-4-(3-chlorophenyl)-5-oxopiperazin-1-yl]methyl]-2-methylimidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[2-butyl-4-(3-chlorophenyl)-5-keto-piperazino]methyl]-2-methyl-imidazol-1-yl]methyl]benzonitrile Formula: C27H30ClN5O MolecularWeight: 476.013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClN5O/c1-3-4-7-25-18-33(24-8-5-6-23(28)13-24)27(34)19-31(25)17-26-15-30-20(2)32(26)16-22-11-9-21(14-29)10-12-22/h5-6,8-13,15,25H,3-4,7,16-19H2,1-2H3