2-[3-[[2,2-bis(fluoranyl)-2-pyridin-2-yl-ethyl]amino]-6-chloranyl-2-oxidanylidene-pyrazin-1-yl]-N-[[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]ethanamide; ethanoyl fluoride

Systemtic Name: 2-[3-[[2,2-bis(fluoranyl)-2-pyridin-2-yl-ethyl]amino]-6-chloranyl-2-oxidanylidene-pyrazin-1-yl]-N-[[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]ethanamide; ethanoyl fluoride Openeye Name: acetyl fluoride; 2-[6-chloro-3-[[2,2-difluoro-2-(2-pyridyl)ethyl]amino]-2-oxo-pyrazin-1-yl]-N-[[2-(2H-tetrazol-5-yl)phenyl]methyl]acetamide CAS Name: acetyl fluoride; 2-[6-chloro-3-[[2,2-difluoro-2-(2-pyridinyl)ethyl]amino]-2-oxo-1-pyrazinyl]-N-[[2-(2H-tetrazol-5-yl)phenyl]methyl]acetamide IUPAC Name: acetyl fluoride; 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2H-tetrazol-5-yl)phenyl]methyl]acetamide Traditional Name: acetyl fluoride; 2-[6-chloro-3-[[2,2-difluoro-2-(2-pyridyl)ethyl]amino]-2-keto-pyrazin-1-yl]-N-[2-(2H-tetrazol-5-yl)benzyl]acetamide Formula: C27H27ClF5N9O5 MolecularWeight: 688.005596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.C1=CC=C(C(=C1)CNC(=O)CN2C(=CN=C(C2=O)NCC(C3=CC=CC=N3)(F)F)Cl)C4=NNN=N4

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.C1=CC=C(C(=C1)CNC(=O)CN2C(=CN=C(C2=O)NCC(C3=CC=CC=N3)(F)F)Cl)C4=NNN=N4

InChI

InChI=1S/C21H18ClF2N9O2.3C2H3FO/c22-16-10-27-19(28-12-21(23,24)15-7-3-4-8-25-15)20(35)33(16)11-17(34)26-9-13-5-1-2-6-14(13)18-29-31-32-30-18;3*1-2(3)4/h1-8,10H,9,11-12H2,(H,26,34)(H,27,28)(H,29,30,31,32);3*1H3