(2Z)-5-methyl-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-3-one

Systemtic Name: (2Z)-5-methyl-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-5-methyl-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylene]benzofuran-3-one CAS Name: (2Z)-5-methyl-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)-4-pyrazolyl]methylidene]-3-benzofuranone IUPAC Name: (2Z)-5-methyl-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-2-[(3-mesityl-1-phenyl-pyrazol-4-yl)methylene]-5-methyl-coumaran-3-one Formula: C28H24N2O2 MolecularWeight: 420.50236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC3=CN(N=C3C4=C(C=C(C=C4C)C)C)C5=CC=CC=C5)C2=O

Isomeric SMILES

CC1=CC2=C(C=C1)O/C(=C\C3=CN(N=C3C4=C(C=C(C=C4C)C)C)C5=CC=CC=C5)/C2=O

InChI

InChI=1S/C28H24N2O2/c1-17-10-11-24-23(14-17)28(31)25(32-24)15-21-16-30(22-8-6-5-7-9-22)29-27(21)26-19(3)12-18(2)13-20(26)4/h5-16H,1-4H3/b25-15-