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

Systemtic Name: (2Z)-5-bromanyl-2-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-5-bromo-2-[[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]benzofuran-3-one CAS Name: (2Z)-5-bromo-2-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-3-benzofuranone IUPAC Name: (2Z)-5-bromo-2-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-5-bromo-2-[[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]coumaran-3-one Formula: C28H23BrN2O3 MolecularWeight: 515.39782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CC(C)COC1=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/C28H23BrN2O3/c1-18(2)17-33-23-11-8-19(9-12-23)27-20(16-31(30-27)22-6-4-3-5-7-22)14-26-28(32)24-15-21(29)10-13-25(24)34-26/h3-16,18H,17H2,1-2H3/b26-14-