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

Systemtic Name: (2Z)-5-bromanyl-2-[[3-(2-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-2-[[3-(4-allyloxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-bromo-benzofuran-3-one CAS Name: (2Z)-5-bromo-2-[[3-(2-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-benzofuranone IUPAC Name: (2Z)-5-bromo-2-[[3-(2-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-2-[[3-(4-allyloxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-bromo-coumaran-3-one Formula: C28H21BrN2O3 MolecularWeight: 513.38194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H21BrN2O3/c1-3-13-33-22-10-11-23(18(2)14-22)27-19(17-31(30-27)21-7-5-4-6-8-21)15-26-28(32)24-16-20(29)9-12-25(24)34-26/h3-12,14-17H,1,13H2,2H3/b26-15-