tert-butyl 5-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-4-methyl-3-oxidanylidene-6-phenyl-2H-pyrazine-1-carboxylate

Systemtic Name: tert-butyl 5-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-4-methyl-3-oxidanylidene-6-phenyl-2H-pyrazine-1-carboxylate Openeye Name: tert-butyl 5-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-4-methyl-3-oxo-6-phenyl-2H-pyrazine-1-carboxylate CAS Name: 5-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]-oxomethyl]-4-methyl-3-oxo-6-phenyl-2H-pyrazine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-4-methyl-3-oxo-6-phenyl-2H-pyrazine-1-carboxylate Traditional Name: 5-[[3,5-bis(trifluoromethyl)benzyl]carbamoyl]-3-keto-4-methyl-6-phenyl-2H-pyrazine-1-carboxylic acid tert-butyl ester Formula: C26H25F6N3O4 MolecularWeight: 557.484819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=O)N(C(=C1C2=CC=CC=C2)C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=O)N(C(=C1C2=CC=CC=C2)C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C26H25F6N3O4/c1-24(2,3)39-23(38)35-14-19(36)34(4)21(20(35)16-8-6-5-7-9-16)22(37)33-13-15-10-17(25(27,28)29)12-18(11-15)26(30,31)32/h5-12H,13-14H2,1-4H3,(H,33,37)