[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyrimidin-5-yl-1,2,3-triazol-4-yl]-[5-(2-chlorophenyl)-3-(2-oxidanylpropan-2-yl)-1,2-oxazol-4-yl]methanone

Systemtic Name: [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyrimidin-5-yl-1,2,3-triazol-4-yl]-[5-(2-chlorophenyl)-3-(2-oxidanylpropan-2-yl)-1,2-oxazol-4-yl]methanone Openeye Name: [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyrimidin-5-yl-triazol-4-yl]-[5-(2-chlorophenyl)-3-(1-hydroxy-1-methyl-ethyl)isoxazol-4-yl]methanone CAS Name: [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(5-pyrimidinyl)-4-triazolyl]-[5-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)-4-isoxazolyl]methanone IUPAC Name: [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyrimidin-5-yltriazol-4-yl]-[5-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,2-oxazol-4-yl]methanone Traditional Name: [1-[3,5-bis(trifluoromethyl)benzyl]-5-(5-pyrimidyl)triazol-4-yl]-[5-(2-chlorophenyl)-3-(1-hydroxy-1-methyl-ethyl)isoxazol-4-yl]methanone Formula: C28H19ClF6N6O3 MolecularWeight: 636.932279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NOC(=C1C(=O)C2=C(N(N=N2)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CN=CN=C4)C5=CC=CC=C5Cl)O

Isomeric SMILES

CC(C)(C1=NOC(=C1C(=O)C2=C(N(N=N2)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CN=CN=C4)C5=CC=CC=C5Cl)O

InChI

InChI=1S/C28H19ClF6N6O3/c1-26(2,43)25-20(24(44-39-25)18-5-3-4-6-19(18)29)23(42)21-22(15-10-36-13-37-11-15)41(40-38-21)12-14-7-16(27(30,31)32)9-17(8-14)28(33,34)35/h3-11,13,43H,12H2,1-2H3