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

Systemtic Name: 4-[(3-bromanyl-4,5-diethoxy-phenyl)-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(3-bromo-4,5-diethoxy-phenyl)-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-phenyl-1H-pyrazol-3-one CAS Name: 4-[(3-bromo-4,5-diethoxyphenyl)-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(3-bromo-4,5-diethoxyphenyl)-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(3-bromo-4,5-diethoxy-phenyl)-(5-keto-1-methyl-3-phenyl-3-pyrazolin-4-yl)methyl]-2-methyl-5-phenyl-3-pyrazolin-3-one Formula: C31H31BrN4O4 MolecularWeight: 603.50624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31BrN4O4/c1-5-39-23-18-21(17-22(32)29(23)40-6-2)24(25-27(33-35(3)30(25)37)19-13-9-7-10-14-19)26-28(34-36(4)31(26)38)20-15-11-8-12-16-20/h7-18,24,33-34H,5-6H2,1-4H3