tert-butyl 6-oxidanylidene-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylate

Systemtic Name: tert-butyl 6-oxidanylidene-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylate Openeye Name: tert-butyl 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylate CAS Name: 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylate Traditional Name: 6-keto-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid tert-butyl ester Formula: C22H19F3N2O3 MolecularWeight: 416.39307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CNC(=O)C(=N1)C2=CC=CC(=C2)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)C1=CNC(=O)C(=N1)C2=CC=CC(=C2)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H19F3N2O3/c1-21(2,3)30-20(29)17-12-26-19(28)18(27-17)14-8-6-7-13(11-14)15-9-4-5-10-16(15)22(23,24)25/h4-12H,1-3H3,(H,26,28)