tert-butyl N-[2-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-(2-bromanylethynyl)-5-cyano-pyrazol-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Systemtic Name: tert-butyl N-[2-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-(2-bromanylethynyl)-5-cyano-pyrazol-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate Openeye Name: tert-butyl N-[4-(2-bromoethynyl)-5-cyano-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-N-tert-butoxycarbonyl-carbamate CAS Name: N-[4-(2-bromoethynyl)-5-cyano-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-pyrazolyl]-N-[(2-methylpropan-2-yl)oxy-oxomethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(2-bromoethynyl)-5-cyano-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate Traditional Name: N-[4-(2-bromoethynyl)-5-cyano-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-3-yl]-N-tert-butoxycarbonyl-carbamic acid tert-butyl ester Formula: C23H20BrCl2F3N4O4 MolecularWeight: 624.23451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=C(C(=NN1C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)C#N)C#CBr)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=C(C(=NN1C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)C#N)C#CBr)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H20BrCl2F3N4O4/c1-21(2,3)36-19(34)32(20(35)37-22(4,5)6)18-13(7-8-24)16(11-30)31-33(18)17-14(25)9-12(10-15(17)26)23(27,28)29/h9-10H,1-6H3