(4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[(4-phenylmethoxyphenyl)methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[(4-phenylmethoxyphenyl)methylidene]pyrazol-3-one Openeye Name: (4E)-4-[(4-benzyloxyphenyl)methylene]-2-(3,4-dimethylphenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[(4-phenylmethoxyphenyl)methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[(4-phenylmethoxyphenyl)methylidene]pyrazol-3-one Traditional Name: (4E)-4-(4-benzoxybenzylidene)-2-(3,4-dimethylphenyl)-5-methyl-2-pyrazolin-3-one Formula: C26H24N2O2 MolecularWeight: 396.48096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=N2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC=CC=C4)/C(=N2)C)C

InChI

InChI=1S/C26H24N2O2/c1-18-9-12-23(15-19(18)2)28-26(29)25(20(3)27-28)16-21-10-13-24(14-11-21)30-17-22-7-5-4-6-8-22/h4-16H,17H2,1-3H3/b25-16+