2-[3-[[2,2-bis(fluoranyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]amino]-6-cyano-2-oxidanylidene-pyrazin-1-yl]-N-phenethyl-ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[3-[[2,2-bis(fluoranyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]amino]-6-cyano-2-oxidanylidene-pyrazin-1-yl]-N-phenethyl-ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[6-cyano-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxo-pyrazin-1-yl]-N-phenethyl-acetamide; 2,2,2-trifluoroacetic acid CAS Name: 2-[6-cyano-3-[[2,2-difluoro-2-(1-oxido-2-pyridin-1-iumyl)ethyl]amino]-2-oxo-1-pyrazinyl]-N-phenethylacetamide; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[6-cyano-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-phenethylacetamide; 2,2,2-trifluoroacetic acid Traditional Name: 2-[6-cyano-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-keto-pyrazin-1-yl]-N-phenethyl-acetamide; 2,2,2-trifluoroacetic acid Formula: C24H21F5N6O5 MolecularWeight: 568.452756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CN2C(=CN=C(C2=O)NCC(C3=CC=CC=[N+]3[O-])(F)F)C#N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CN2C(=CN=C(C2=O)NCC(C3=CC=CC=[N+]3[O-])(F)F)C#N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C22H20F2N6O3.C2HF3O2/c23-22(24,18-8-4-5-11-30(18)33)15-28-20-21(32)29(17(12-25)13-27-20)14-19(31)26-10-9-16-6-2-1-3-7-16;3-2(4,5)1(6)7/h1-8,11,13H,9-10,14-15H2,(H,26,31)(H,27,28);(H,6,7)