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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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