(2Z)-2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-benzofuran-3-one CAS Name: (2Z)-2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-5-methyl-3-benzofuranone IUPAC Name: (2Z)-2-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methyl-1-benzofuran-3-one Traditional Name: (2Z)-2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-coumaran-3-one Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC3=CN(N=C3C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5)C2=O

Isomeric SMILES

CC1=CC2=C(C=C1)O/C(=C\C3=CN(N=C3C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5)/C2=O

InChI

InChI=1S/C27H22N2O4/c1-17-9-11-22-21(13-17)27(30)25(33-22)15-19-16-29(20-7-5-4-6-8-20)28-26(19)18-10-12-23(31-2)24(14-18)32-3/h4-16H,1-3H3/b25-15-