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

Systemtic Name: (2Z)-5,6-dimethyl-2-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-5,6-dimethyl-2-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylene]benzofuran-3-one CAS Name: (2Z)-5,6-dimethyl-2-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-benzofuranone IUPAC Name: (2Z)-5,6-dimethyl-2-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-5,6-dimethyl-2-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylene]coumaran-3-one Formula: C27H22N2O2 MolecularWeight: 406.47578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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