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

Systemtic Name: (2Z)-5-bromanyl-2-[[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-5-bromo-2-[[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]benzofuran-3-one CAS Name: (2Z)-5-bromo-2-[[3-(2,5-dimethylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-benzofuranone IUPAC Name: (2Z)-5-bromo-2-[[3-(2,5-dimethylphenyl)-1-phenylpyrazol-4-yl]methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-5-bromo-2-[[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methylene]coumaran-3-one Formula: C26H19BrN2O2 MolecularWeight: 471.34526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C=C2/C=C\3/C(=O)C4=C(O3)C=CC(=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C26H19BrN2O2/c1-16-8-9-17(2)21(12-16)25-18(15-29(28-25)20-6-4-3-5-7-20)13-24-26(30)22-14-19(27)10-11-23(22)31-24/h3-15H,1-2H3/b24-13-