(4-bromophenyl)-[(5S)-5-tert-butyl-3-ethyl-5-oxidanyl-4H-pyrazol-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[(5S)-5-tert-butyl-3-ethyl-5-oxidanyl-4H-pyrazol-1-yl]methanone Openeye Name: (4-bromophenyl)-[(5S)-5-tert-butyl-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone CAS Name: (4-bromophenyl)-[(5S)-5-tert-butyl-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone IUPAC Name: (4-bromophenyl)-[(5S)-5-tert-butyl-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone Traditional Name: (4-bromophenyl)-[(5S)-5-tert-butyl-3-ethyl-5-hydroxy-2-pyrazolin-1-yl]methanone Formula: C16H21BrN2O2 MolecularWeight: 353.25414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1)(C(C)(C)C)O)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC1=NN([C@](C1)(C(C)(C)C)O)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H21BrN2O2/c1-5-13-10-16(21,15(2,3)4)19(18-13)14(20)11-6-8-12(17)9-7-11/h6-9,21H,5,10H2,1-4H3/t16-/m0/s1