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

Systemtic Name: (2Z)-2-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-benzofuran-3-one CAS Name: (2Z)-2-[[3-(4-butoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-5-methyl-3-benzofuranone IUPAC Name: (2Z)-2-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methyl-1-benzofuran-3-one Traditional Name: (2Z)-2-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-coumaran-3-one Formula: C29H26N2O3 MolecularWeight: 450.52834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)C4=C(O3)C=CC(=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C29H26N2O3/c1-3-4-16-33-24-13-11-21(12-14-24)28-22(19-31(30-28)23-8-6-5-7-9-23)18-27-29(32)25-17-20(2)10-15-26(25)34-27/h5-15,17-19H,3-4,16H2,1-2H3/b27-18-