(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-2-(2-phenylethanoyl)pyrazol-3-one

Systemtic Name: (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-2-(2-phenylethanoyl)pyrazol-3-one Openeye Name: (4E)-4-[(3,4-dimethoxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one CAS Name: (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-2-(1-oxo-2-phenylethyl)-3-pyrazolone IUPAC Name: (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one Traditional Name: (4E)-5-methyl-2-(2-phenylacetyl)-4-veratrylidene-2-pyrazolin-3-one Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)OC)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OC)OC)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4/c1-14-17(11-16-9-10-18(26-2)19(12-16)27-3)21(25)23(22-14)20(24)13-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3/b17-11+