4-[[5-[[4-(4,4-dimethyl-2-oxidanyl-pentanoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[4-(4,4-dimethyl-2-oxidanyl-pentanoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(2-hydroxy-4,4-dimethyl-pentanoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-(2-hydroxy-4,4-dimethyl-1-oxopentyl)-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(2-hydroxy-4,4-dimethylpentanoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(2-hydroxy-4,4-dimethyl-pentanoyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)N1CCN(CC1)CC2=CN=CN2CC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC(C)(C)CC(C(=O)N1CCN(CC1)CC2=CN=CN2CC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C23H31N5O2/c1-23(2,3)12-21(29)22(30)27-10-8-26(9-11-27)16-20-14-25-17-28(20)15-19-6-4-18(13-24)5-7-19/h4-7,14,17,21,29H,8-12,15-16H2,1-3H3