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

Systemtic Name: 4-[(3-ethoxy-4-oxidanyl-phenyl)-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(3-ethoxy-4-hydroxy-phenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[(3-ethoxy-4-hydroxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(3-ethoxy-4-hydroxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(3-ethoxy-4-hydroxy-phenyl)-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C29H28N4O4 MolecularWeight: 496.55702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(NN(C2=O)C3=CC=CC=C3)C)C4=C(NN(C4=O)C5=CC=CC=C5)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(NN(C2=O)C3=CC=CC=C3)C)C4=C(NN(C4=O)C5=CC=CC=C5)C)O

InChI

InChI=1S/C29H28N4O4/c1-4-37-24-17-20(15-16-23(24)34)27(25-18(2)30-32(28(25)35)21-11-7-5-8-12-21)26-19(3)31-33(29(26)36)22-13-9-6-10-14-22/h5-17,27,30-31,34H,4H2,1-3H3