(4E)-4-[(4-tert-butylphenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(4-tert-butylphenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[(4-tert-butylphenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[(4-tert-butylphenyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[(4-tert-butylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-(4-tert-butylbenzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C21H22N2O MolecularWeight: 318.41218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O/c1-15-19(14-16-10-12-17(13-11-16)21(2,3)4)20(24)23(22-15)18-8-6-5-7-9-18/h5-14H,1-4H3/b19-14+