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

Systemtic Name: (4E)-2-(2,4-dimethylphenyl)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(2,4-dimethylphenyl)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(2,4-dimethylphenyl)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(2,4-dimethylphenyl)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(2,4-dimethylphenyl)-4-(3-methoxy-4-propargyloxy-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC#C)OC)C(=N2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC#C)OC)/C(=N2)C)C

InChI

InChI=1S/C23H22N2O3/c1-6-11-28-21-10-8-18(14-22(21)27-5)13-19-17(4)24-25(23(19)26)20-9-7-15(2)12-16(20)3/h1,7-10,12-14H,11H2,2-5H3/b19-13+