bis(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) carbonate

Systemtic Name: bis(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) carbonate Openeye Name: bis(4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) carbonate CAS Name: carbonic acid bis(4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl) ester IUPAC Name: bis(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) carbonate Traditional Name: carbonic acid bis(4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl) ester Formula: C39H38N4O5 MolecularWeight: 642.74282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)OC4=C(C(=O)N(N4C5=CC=CC=C5)C6=CC=CC=C6)CCCC

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)OC4=C(C(=O)N(N4C5=CC=CC=C5)C6=CC=CC=C6)CCCC

InChI

InChI=1S/C39H38N4O5/c1-3-5-27-33-35(44)40(29-19-11-7-12-20-29)42(31-23-15-9-16-24-31)37(33)47-39(46)48-38-34(28-6-4-2)36(45)41(30-21-13-8-14-22-30)43(38)32-25-17-10-18-26-32/h7-26H,3-6,27-28H2,1-2H3