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

Systemtic Name: 4-[(5-bromanyl-2-methoxy-phenyl)-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(5-bromo-2-methoxy-phenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[(5-bromo-2-methoxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(5-bromo-2-methoxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(5-bromo-2-methoxy-phenyl)-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C28H25BrN4O3 MolecularWeight: 545.4271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=C(C=CC(=C3)Br)OC)C4=C(NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=C(C=CC(=C3)Br)OC)C4=C(NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C28H25BrN4O3/c1-17-24(27(34)32(30-17)20-10-6-4-7-11-20)26(22-16-19(29)14-15-23(22)36-3)25-18(2)31-33(28(25)35)21-12-8-5-9-13-21/h4-16,26,30-31H,1-3H3