(4E)-2-(3,4-dimethylphenyl)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-2-(3,4-dimethylphenyl)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(3,4-dimethylphenyl)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(3,4-dimethylphenyl)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(3,4-dimethylphenyl)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(3,4-dimethylphenyl)-4-(3-ethoxy-4-propargyloxy-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC(=C(C=C3)C)C)C)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC(=C(C=C3)C)C)C)OCC#C

InChI

InChI=1S/C24H24N2O3/c1-6-12-29-22-11-9-19(15-23(22)28-7-2)14-21-18(5)25-26(24(21)27)20-10-8-16(3)17(4)13-20/h1,8-11,13-15H,7,12H2,2-5H3/b21-14+