N-(4-bromophenyl)-2-(5-tert-butyl-5-oxidanyl-3-pentyl-4H-pyrazol-1-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-(5-tert-butyl-5-oxidanyl-3-pentyl-4H-pyrazol-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-(4-bromophenyl)-2-(5-tert-butyl-5-hydroxy-3-pentyl-4H-pyrazol-1-yl)-2-oxo-acetamide CAS Name: N-(4-bromophenyl)-2-(5-tert-butyl-5-hydroxy-3-pentyl-4H-pyrazol-1-yl)-2-oxoacetamide IUPAC Name: N-(4-bromophenyl)-2-(5-tert-butyl-5-hydroxy-3-pentyl-4H-pyrazol-1-yl)-2-oxoacetamide Traditional Name: 2-(3-amyl-5-tert-butyl-5-hydroxy-2-pyrazolin-1-yl)-N-(4-bromophenyl)-2-keto-acetamide Formula: C20H28BrN3O3 MolecularWeight: 438.35862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C(C1)(C(C)(C)C)O)C(=O)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCC1=NN(C(C1)(C(C)(C)C)O)C(=O)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H28BrN3O3/c1-5-6-7-8-16-13-20(27,19(2,3)4)24(23-16)18(26)17(25)22-15-11-9-14(21)10-12-15/h9-12,27H,5-8,13H2,1-4H3,(H,22,25)