4-[(3-methoxy-4-oxidanyl-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-[(3-methoxy-4-oxidanyl-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(4-hydroxy-3-methoxy-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[(4-hydroxy-3-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(4-hydroxy-3-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(4-hydroxy-3-methoxy-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C22H22N4O4 MolecularWeight: 406.43448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)O)OC)C3=C(NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)O)OC)C3=C(NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H22N4O4/c1-12-18(21(28)24-23-12)20(14-9-10-16(27)17(11-14)30-3)19-13(2)25-26(22(19)29)15-7-5-4-6-8-15/h4-11,20,25,27H,1-3H3,(H2,23,24,28)