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

Systemtic Name: (2Z)-2-[[3-(3-fluoranyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5,6-dimethyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[[3-(3-fluoro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-5,6-dimethyl-benzofuran-3-one CAS Name: (2Z)-2-[[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-5,6-dimethyl-3-benzofuranone IUPAC Name: (2Z)-2-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5,6-dimethyl-1-benzofuran-3-one Traditional Name: (2Z)-2-[[3-(3-fluoro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-5,6-dimethyl-coumaran-3-one Formula: C29H25FN2O3 MolecularWeight: 468.518803

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C29H25FN2O3/c1-4-12-34-25-11-10-20(15-24(25)30)28-21(17-32(31-28)22-8-6-5-7-9-22)16-27-29(33)23-13-18(2)19(3)14-26(23)35-27/h5-11,13-17H,4,12H2,1-3H3/b27-16-