3-methyl-4-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1H-pyrazol-5-one

Systemtic Name: 3-methyl-4-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1H-pyrazol-5-one Openeye Name: 3-methyl-4-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylene]-1H-pyrazol-5-one CAS Name: 3-methyl-4-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-1H-pyrazol-5-one IUPAC Name: 3-methyl-4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-1H-pyrazol-5-one Traditional Name: 5-methyl-4-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylene]-2-pyrazolin-3-one Formula: C21H18N4O MolecularWeight: 342.39382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NNC3=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NNC3=O)C)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O/c1-14-8-10-16(11-9-14)20-17(12-19-15(2)22-23-21(19)26)13-25(24-20)18-6-4-3-5-7-18/h3-13H,1-2H3,(H,23,26)