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

Systemtic Name: (4E)-4-[[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[5-(2-bromo-4-methyl-phenyl)-2-furyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[5-(2-bromo-4-methylphenyl)-2-furanyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[[5-(2-bromo-4-methyl-phenyl)-2-furyl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C22H17BrN2O2 MolecularWeight: 421.28658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C)Br

InChI

InChI=1S/C22H17BrN2O2/c1-14-8-10-18(20(23)12-14)21-11-9-17(27-21)13-19-15(2)24-25(22(19)26)16-6-4-3-5-7-16/h3-13H,1-2H3/b19-13+