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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=C(NN(C3=O)C4=CC=C(C=C4)Br)C)C(=N2)C

Isomeric SMILES

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

InChI

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