4-[(2,5-dimethoxyphenyl)-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(2,5-dimethoxyphenyl)-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(2,5-dimethoxyphenyl)-(2-hydroxy-4-oxo-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(2,5-dimethoxyphenyl)-(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(2,5-dimethoxyphenyl)-(2-hydroxy-4-oxochromen-3-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(2,5-dimethoxyphenyl)-(2-hydroxy-4-keto-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C29H26N2O6 MolecularWeight: 498.52654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C(C=CC(=C3)OC)OC)C4=C(OC5=CC=CC=C5C4=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C(C=CC(=C3)OC)OC)C4=C(OC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C29H26N2O6/c1-17-24(28(33)31(30(17)2)18-10-6-5-7-11-18)25(21-16-19(35-3)14-15-22(21)36-4)26-27(32)20-12-8-9-13-23(20)37-29(26)34/h5-16,25,34H,1-4H3