4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: 4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 4-[[5-(4-bromophenyl)-2-furyl]methylene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one CAS Name: 4-[[5-(4-bromophenyl)-2-furanyl]methylidene]-2-phenyl-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 4-[[5-(4-bromophenyl)-2-furyl]methylene]-2-phenyl-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C21H12BrF3N2O2 MolecularWeight: 461.23139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)Br)C(=N2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)Br)C(=N2)C(F)(F)F

InChI

InChI=1S/C21H12BrF3N2O2/c22-14-8-6-13(7-9-14)18-11-10-16(29-18)12-17-19(21(23,24)25)26-27(20(17)28)15-4-2-1-3-5-15/h1-12H