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

Systemtic Name: (2Z)-5-bromanyl-2-[[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-5-bromo-2-[[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]benzofuran-3-one CAS Name: (2Z)-5-bromo-2-[[3-(4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-benzofuranone IUPAC Name: (2Z)-5-bromo-2-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-5-bromo-2-[(1-phenyl-3-p-phenetyl-pyrazol-4-yl)methylene]coumaran-3-one Formula: C26H19BrN2O3 MolecularWeight: 487.34466

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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)Br)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)Br)C5=CC=CC=C5

InChI

InChI=1S/C26H19BrN2O3/c1-2-31-21-11-8-17(9-12-21)25-18(16-29(28-25)20-6-4-3-5-7-20)14-24-26(30)22-15-19(27)10-13-23(22)32-24/h3-16H,2H2,1H3/b24-14-