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

Systemtic Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[[5-methyl-2-(4-methylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]methylidene]pyrazol-3-one Openeye Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[[5-methyl-3-oxo-2-(p-tolyl)-1H-pyrazol-4-yl]methylene]pyrazol-3-one CAS Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]pyrazol-3-one Traditional Name: (4E)-2-(4-bromophenyl)-4-[[5-keto-3-methyl-1-(p-tolyl)-3-pyrazolin-4-yl]methylene]-5-methyl-2-pyrazolin-3-one Formula: C22H19BrN4O2 MolecularWeight: 451.31586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C=C3C(=NN(C3=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)/C=C/3\C(=NN(C3=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C22H19BrN4O2/c1-13-4-8-17(9-5-13)26-21(28)19(14(2)24-26)12-20-15(3)25-27(22(20)29)18-10-6-16(23)7-11-18/h4-12,24H,1-3H3/b20-12+