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

Systemtic Name: (2Z)-2-[[3-(3-fluoranyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[[3-(3-fluoro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-benzofuran-3-one CAS Name: (2Z)-2-[[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-5-methyl-3-benzofuranone IUPAC Name: (2Z)-2-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methyl-1-benzofuran-3-one Traditional Name: (2Z)-2-[[3-(3-fluoro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-coumaran-3-one Formula: C28H23FN2O3 MolecularWeight: 454.492223

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C)C5=CC=CC=C5)F

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)C4=C(O3)C=CC(=C4)C)C5=CC=CC=C5)F

InChI

InChI=1S/C28H23FN2O3/c1-3-13-33-25-12-10-19(15-23(25)29)27-20(17-31(30-27)21-7-5-4-6-8-21)16-26-28(32)22-14-18(2)9-11-24(22)34-26/h4-12,14-17H,3,13H2,1-2H3/b26-16-