2-[3-[[2,2-bis(fluoranyl)-2-pyridin-2-yl-ethyl]amino]-6-chloranyl-2-oxidanylidene-pyrazin-1-yl]-N-[[2-(2-methyl-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-(2-methyl-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-(2-methyltetrazol-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-(2-methyl-5-tetrazolyl)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-(2-methyltetrazol-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-(2-methyltetrazol-5-yl)benzyl]acetamide Formula: C28H29ClF5N9O5 MolecularWeight: 702.032176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.CN1N=C(N=N1)C2=CC=CC=C2CNC(=O)CN3C(=CN=C(C3=O)NCC(C4=CC=CC=N4)(F)F)Cl

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.CN1N=C(N=N1)C2=CC=CC=C2CNC(=O)CN3C(=CN=C(C3=O)NCC(C4=CC=CC=N4)(F)F)Cl

InChI

InChI=1S/C22H20ClF2N9O2.3C2H3FO/c1-33-31-19(30-32-33)15-7-3-2-6-14(15)10-27-18(35)12-34-17(23)11-28-20(21(34)36)29-13-22(24,25)16-8-4-5-9-26-16;3*1-2(3)4/h2-9,11H,10,12-13H2,1H3,(H,27,35)(H,28,29);3*1H3