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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)Br)C5=CC=CC=C5)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)C4=C(O3)C=CC(=C4)Br)C5=CC=CC=C5)C

InChI

InChI=1S/C28H23BrN2O3/c1-3-13-33-24-11-9-19(14-18(24)2)27-20(17-31(30-27)22-7-5-4-6-8-22)15-26-28(32)23-16-21(29)10-12-25(23)34-26/h4-12,14-17H,3,13H2,1-2H3/b26-15-