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

Systemtic Name: (2Z)-2-[[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-benzofuran-3-one CAS Name: (2Z)-2-[[3-(2,5-dimethylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-5-methyl-3-benzofuranone IUPAC Name: (2Z)-2-[[3-(2,5-dimethylphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methyl-1-benzofuran-3-one Traditional Name: (2Z)-2-[[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-coumaran-3-one Formula: C27H22N2O2 MolecularWeight: 406.47578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C=C2/C=C\3/C(=O)C4=C(O3)C=CC(=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C27H22N2O2/c1-17-9-11-19(3)22(13-17)26-20(16-29(28-26)21-7-5-4-6-8-21)15-25-27(30)23-14-18(2)10-12-24(23)31-25/h4-16H,1-3H3/b25-15-