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

Systemtic Name: (2Z)-2-[[3-(3-fluoranyl-4-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5,6-dimethyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[[3-(3-fluoro-4-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-5,6-dimethyl-benzofuran-3-one CAS Name: (2Z)-2-[[3-(3-fluoro-4-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-5,6-dimethyl-3-benzofuranone IUPAC Name: (2Z)-2-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-5,6-dimethyl-1-benzofuran-3-one Traditional Name: (2Z)-2-[[3-(3-fluoro-4-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-5,6-dimethyl-coumaran-3-one Formula: C27H21FN2O2 MolecularWeight: 424.466243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=CC(=C(C=C4O3)C)C)C5=CC=CC=C5)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)C4=CC(=C(C=C4O3)C)C)C5=CC=CC=C5)F

InChI

InChI=1S/C27H21FN2O2/c1-16-9-10-19(13-23(16)28)26-20(15-30(29-26)21-7-5-4-6-8-21)14-25-27(31)22-11-17(2)18(3)12-24(22)32-25/h4-15H,1-3H3/b25-14-