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

Systemtic Name: (2Z)-2-[[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-benzofuran-3-one CAS Name: (2Z)-2-[[3-(4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-5-methyl-3-benzofuranone IUPAC Name: (2Z)-2-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methyl-1-benzofuran-3-one Traditional Name: (2Z)-5-methyl-2-[(1-phenyl-3-p-phenetyl-pyrazol-4-yl)methylene]coumaran-3-one Formula: C27H22N2O3 MolecularWeight: 422.47518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCOC1=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/C27H22N2O3/c1-3-31-22-12-10-19(11-13-22)26-20(17-29(28-26)21-7-5-4-6-8-21)16-25-27(30)23-15-18(2)9-14-24(23)32-25/h4-17H,3H2,1-2H3/b25-16-