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

Systemtic Name: (4E)-5-methyl-2-(2-phenylethanoyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-3-one Openeye Name: (4E)-5-methyl-2-(2-phenylacetyl)-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one CAS Name: (4E)-5-methyl-2-(1-oxo-2-phenylethyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-3-pyrazolone IUPAC Name: (4E)-5-methyl-2-(2-phenylacetyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-3-one Traditional Name: (4E)-5-methyl-2-(2-phenylacetyl)-4-(3,4,5-trimethoxybenzylidene)-2-pyrazolin-3-one Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-14-17(10-16-11-18(27-2)21(29-4)19(12-16)28-3)22(26)24(23-14)20(25)13-15-8-6-5-7-9-15/h5-12H,13H2,1-4H3/b17-10+