5-tert-butyl-N-[3-(2-fluoranyl-5-oxidanyl-phenyl)carbonylphenyl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-N-[3-(2-fluoranyl-5-oxidanyl-phenyl)carbonylphenyl]-2-methyl-pyrazole-3-carboxamide Openeye Name: 5-tert-butyl-N-[3-(2-fluoro-5-hydroxy-benzoyl)phenyl]-2-methyl-pyrazole-3-carboxamide CAS Name: 5-tert-butyl-N-[3-[(2-fluoro-5-hydroxyphenyl)-oxomethyl]phenyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: 5-tert-butyl-N-[3-(2-fluoro-5-hydroxybenzoyl)phenyl]-2-methylpyrazole-3-carboxamide Traditional Name: 5-tert-butyl-N-[3-(2-fluoro-5-hydroxy-benzoyl)phenyl]-2-methyl-pyrazole-3-carboxamide Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)C3=C(C=CC(=C3)O)F)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)C3=C(C=CC(=C3)O)F)C

InChI

InChI=1S/C22H22FN3O3/c1-22(2,3)19-12-18(26(4)25-19)21(29)24-14-7-5-6-13(10-14)20(28)16-11-15(27)8-9-17(16)23/h5-12,27H,1-4H3,(H,24,29)