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

Systemtic Name: (2Z)-5-bromanyl-2-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-5-bromo-2-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylene]benzofuran-3-one CAS Name: (2Z)-5-bromo-2-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-benzofuranone IUPAC Name: (2Z)-5-bromo-2-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-5-bromo-2-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylene]coumaran-3-one Formula: C25H17BrN2O2 MolecularWeight: 457.31868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CC1=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/C25H17BrN2O2/c1-16-7-9-17(10-8-16)24-18(15-28(27-24)20-5-3-2-4-6-20)13-23-25(29)21-14-19(26)11-12-22(21)30-23/h2-15H,1H3/b23-13-