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

Systemtic Name: 4-[(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(2-bromo-4-hydroxy-5-methoxy-phenyl)-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-phenyl-1H-pyrazol-3-one CAS Name: 4-[(2-bromo-4-hydroxy-5-methoxyphenyl)-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(2-bromo-4-hydroxy-5-methoxyphenyl)-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(2-bromo-4-hydroxy-5-methoxy-phenyl)-(5-keto-1-methyl-3-phenyl-3-pyrazolin-4-yl)methyl]-2-methyl-5-phenyl-3-pyrazolin-3-one Formula: C28H25BrN4O4 MolecularWeight: 561.4265

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N1)C2=CC=CC=C2)C(C3=CC(=C(C=C3Br)O)OC)C4=C(NN(C4=O)C)C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C(=C(N1)C2=CC=CC=C2)C(C3=CC(=C(C=C3Br)O)OC)C4=C(NN(C4=O)C)C5=CC=CC=C5

InChI

InChI=1S/C28H25BrN4O4/c1-32-27(35)23(25(30-32)16-10-6-4-7-11-16)22(18-14-21(37-3)20(34)15-19(18)29)24-26(31-33(2)28(24)36)17-12-8-5-9-13-17/h4-15,22,30-31,34H,1-3H3