(4E)-4-[[2-(4-bromophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[[2-(4-bromophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[2-(4-bromophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[2-(4-bromophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[2-(4-bromophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[[1-(4-bromophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C21H17BrN4O2 MolecularWeight: 437.28928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)Br)C=C3C(=NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)Br)/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H17BrN4O2/c1-13-18(20(27)25(23-13)16-6-4-3-5-7-16)12-19-14(2)24-26(21(19)28)17-10-8-15(22)9-11-17/h3-12,24H,1-2H3/b18-12+