tert-butyl (1R)-5-[7-(2-chloranylpyridin-4-yl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Systemtic Name: tert-butyl (1R)-5-[7-(2-chloranylpyridin-4-yl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Openeye Name: tert-butyl (1R)-5-[7-(2-chloro-4-pyridyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate CAS Name: (1R)-5-[7-(2-chloro-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R)-5-[7-(2-chloropyridin-4-yl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Traditional Name: (1R)-5-[7-(2-chloro-4-pyridyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester Formula: C27H25ClF3N7O2 MolecularWeight: 571.98131

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC1CN2C3=NC(=C(C4=NN=CN43)C5=CC(=CC=C5)C(F)(F)F)C6=CC(=NC=C6)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2C[C@@H]1CN2C3=NC(=C(C4=NN=CN43)C5=CC(=CC=C5)C(F)(F)F)C6=CC(=NC=C6)Cl

InChI

InChI=1S/C27H25ClF3N7O2/c1-26(2,3)40-25(39)37-13-18-11-19(37)12-36(18)24-34-22(16-7-8-32-20(28)10-16)21(23-35-33-14-38(23)24)15-5-4-6-17(9-15)27(29,30)31/h4-10,14,18-19H,11-13H2,1-3H3/t18?,19-/m1/s1