(4E)-4-[(4-bromophenyl)methylidene]-2-(4-ethyl-2,6-dimethyl-phenyl)-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(4-bromophenyl)methylidene]-2-(4-ethyl-2,6-dimethyl-phenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-[(4-bromophenyl)methylene]-2-(4-ethyl-2,6-dimethyl-phenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-[(4-bromophenyl)methylidene]-2-(4-ethyl-2,6-dimethylphenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-[(4-bromophenyl)methylidene]-2-(4-ethyl-2,6-dimethylphenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-4-(4-bromobenzylidene)-2-(4-ethyl-2,6-dimethyl-phenyl)-5-methyl-2-pyrazolin-3-one Formula: C21H21BrN2O MolecularWeight: 397.30824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C)N2C(=O)C(=CC3=CC=C(C=C3)Br)C(=N2)C)C

Isomeric SMILES

CCC1=CC(=C(C(=C1)C)N2C(=O)/C(=C/C3=CC=C(C=C3)Br)/C(=N2)C)C

InChI

InChI=1S/C21H21BrN2O/c1-5-16-10-13(2)20(14(3)11-16)24-21(25)19(15(4)23-24)12-17-6-8-18(22)9-7-17/h6-12H,5H2,1-4H3/b19-12+