1-(5-tert-butyl-1-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(3-fluoranyl-4-methyl-phenyl)urea

Systemtic Name: 1-(5-tert-butyl-1-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(3-fluoranyl-4-methyl-phenyl)urea Openeye Name: 1-(5-tert-butyl-1-methyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(3-fluoro-4-methyl-phenyl)urea CAS Name: 1-(5-tert-butyl-1-methyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(3-fluoro-4-methylphenyl)urea IUPAC Name: 1-(5-tert-butyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-fluoro-4-methylphenyl)urea Traditional Name: 1-(5-tert-butyl-3-keto-1-methyl-2-phenyl-3-pyrazolin-4-yl)-3-(3-fluoro-4-methyl-phenyl)urea Formula: C22H25FN4O2 MolecularWeight: 396.457903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C(C)(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C(C)(C)C)F

InChI

InChI=1S/C22H25FN4O2/c1-14-11-12-15(13-17(14)23)24-21(29)25-18-19(22(2,3)4)26(5)27(20(18)28)16-9-7-6-8-10-16/h6-13H,1-5H3,(H2,24,25,29)