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

Systemtic Name: 4-[(3-bromanyl-5-ethoxy-4-propoxy-phenyl)-(3-oxidanylidene-2,5-diphenyl-1H-pyrazol-4-yl)methyl]-2,5-diphenyl-1H-pyrazol-3-one Openeye Name: 4-[(3-bromo-5-ethoxy-4-propoxy-phenyl)-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)methyl]-2,5-diphenyl-1H-pyrazol-3-one CAS Name: 4-[(3-bromo-5-ethoxy-4-propoxyphenyl)-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)methyl]-2,5-diphenyl-1H-pyrazol-3-one IUPAC Name: 4-[(3-bromo-5-ethoxy-4-propoxyphenyl)-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)methyl]-2,5-diphenyl-1H-pyrazol-3-one Traditional Name: 4-[(3-bromo-5-ethoxy-4-propoxy-phenyl)-(5-keto-1,3-diphenyl-3-pyrazolin-4-yl)methyl]-2,5-diphenyl-3-pyrazolin-3-one Formula: C42H37BrN4O4 MolecularWeight: 741.67158

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(C2=C(NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=C(NN(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(C2=C(NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=C(NN(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)OCC

InChI

InChI=1S/C42H37BrN4O4/c1-3-25-51-40-33(43)26-30(27-34(40)50-4-2)35(36-38(28-17-9-5-10-18-28)44-46(41(36)48)31-21-13-7-14-22-31)37-39(29-19-11-6-12-20-29)45-47(42(37)49)32-23-15-8-16-24-32/h5-24,26-27,35,44-45H,3-4,25H2,1-2H3