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

Systemtic Name: (4E)-4-[[2-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[2-bromo-4-(2-fluorobenzyl)oxy-5-methoxy-benzylidene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C25H20BrFN2O3 MolecularWeight: 495.340303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)OCC3=CC=CC=C3F)OC)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2Br)OCC3=CC=CC=C3F)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H20BrFN2O3/c1-16-20(25(30)29(28-16)19-9-4-3-5-10-19)12-18-13-23(31-2)24(14-21(18)26)32-15-17-8-6-7-11-22(17)27/h3-14H,15H2,1-2H3/b20-12+