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

Systemtic Name: 4-[(3-bromanyl-4,5-diethoxy-phenyl)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(3-bromo-4,5-diethoxy-phenyl)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(3-bromo-4,5-diethoxyphenyl)-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(3-bromo-4,5-diethoxyphenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(3-bromo-4,5-diethoxy-phenyl)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C33H35BrN4O4 MolecularWeight: 631.5594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H35BrN4O4/c1-7-41-27-20-23(19-26(34)31(27)42-8-2)30(28-21(3)35(5)37(32(28)39)24-15-11-9-12-16-24)29-22(4)36(6)38(33(29)40)25-17-13-10-14-18-25/h9-20,30H,7-8H2,1-6H3