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

Systemtic Name: (4E)-4-[(4-tert-butylphenyl)methylidene]-2-(4-chlorophenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-[(4-tert-butylphenyl)methylene]-2-(4-chlorophenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-[(4-tert-butylphenyl)methylidene]-2-(4-chlorophenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-[(4-tert-butylphenyl)methylidene]-2-(4-chlorophenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-4-(4-tert-butylbenzylidene)-2-(4-chlorophenyl)-5-methyl-2-pyrazolin-3-one Formula: C21H21ClN2O MolecularWeight: 352.85724

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O/c1-14-19(13-15-5-7-16(8-6-15)21(2,3)4)20(25)24(23-14)18-11-9-17(22)10-12-18/h5-13H,1-4H3/b19-13+