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

Systemtic Name: (2Z)-5-methyl-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-5-methyl-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylene]benzofuran-3-one CAS Name: (2Z)-5-methyl-2-[[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]methylidene]-3-benzofuranone IUPAC Name: (2Z)-5-methyl-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-5-methyl-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylene]coumaran-3-one Formula: C28H24N2O3 MolecularWeight: 436.50176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N2O3/c1-3-15-32-23-12-10-20(11-13-23)27-21(18-30(29-27)22-7-5-4-6-8-22)17-26-28(31)24-16-19(2)9-14-25(24)33-26/h4-14,16-18H,3,15H2,1-2H3/b26-17-