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

Systemtic Name: (2Z)-5-chloranyl-2-[[3-(3-fluoranyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-5-chloro-2-[[3-(3-fluoro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]benzofuran-3-one CAS Name: (2Z)-5-chloro-2-[[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-benzofuranone IUPAC Name: (2Z)-5-chloro-2-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-5-chloro-2-[[3-(3-fluoro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]coumaran-3-one Formula: C27H20ClFN2O3 MolecularWeight: 474.910703

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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)Cl)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)Cl)C5=CC=CC=C5)F

InChI

InChI=1S/C27H20ClFN2O3/c1-2-12-33-24-10-8-17(13-22(24)29)26-18(16-31(30-26)20-6-4-3-5-7-20)14-25-27(32)21-15-19(28)9-11-23(21)34-25/h3-11,13-16H,2,12H2,1H3/b25-14-