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

Systemtic Name: 4-[[5-[[(2S)-2-butyl-5-oxidanylidene-4-phenyl-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[(2S)-2-butyl-5-oxo-4-phenyl-piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[(2S)-2-butyl-5-oxo-4-phenyl-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[(2S)-2-butyl-5-oxo-4-phenylpiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[(2S)-2-butyl-5-keto-4-phenyl-piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C26H29N5O MolecularWeight: 427.54136

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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=C4

Isomeric SMILES

CCCC[C@H]1CN(C(=O)CN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H29N5O/c1-2-3-7-24-18-31(23-8-5-4-6-9-23)26(32)19-29(24)17-25-15-28-20-30(25)16-22-12-10-21(14-27)11-13-22/h4-6,8-13,15,20,24H,2-3,7,16-19H2,1H3/t24-/m0/s1