(4E)-4-[(3-bromanyl-4,5-diethoxy-phenyl)methylidene]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(3-bromanyl-4,5-diethoxy-phenyl)methylidene]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-[(3-bromo-4,5-diethoxy-phenyl)methylene]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2-(4-fluorophenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2-(4-fluorophenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-4-(3-bromo-4,5-diethoxy-benzylidene)-2-(4-fluorophenyl)-5-methyl-2-pyrazolin-3-one Formula: C21H20BrFN2O3 MolecularWeight: 447.297503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)F)C)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)F)C)Br)OCC

InChI

InChI=1S/C21H20BrFN2O3/c1-4-27-19-12-14(11-18(22)20(19)28-5-2)10-17-13(3)24-25(21(17)26)16-8-6-15(23)7-9-16/h6-12H,4-5H2,1-3H3/b17-10+