2-[3-[[2,2-bis(fluoranyl)-2-pyridin-2-yl-ethyl]amino]-6-chloranyl-2-oxidanylidene-pyrazin-1-yl]-N-[[5-chloranyl-2-(1,2,4-triazol-1-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-[[5-chloranyl-2-(1,2,4-triazol-1-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-[[5-chloro-2-(1,2,4-triazol-1-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-[[5-chloro-2-(1,2,4-triazol-1-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-[[5-chloro-2-(1,2,4-triazol-1-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-[5-chloro-2-(1,2,4-triazol-1-yl)benzyl]acetamide Formula: C28H27Cl2F5N8O5 MolecularWeight: 721.462596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.C1=CC=NC(=C1)C(CNC2=NC=C(N(C2=O)CC(=O)NCC3=C(C=CC(=C3)Cl)N4C=NC=N4)Cl)(F)F

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.C1=CC=NC(=C1)C(CNC2=NC=C(N(C2=O)CC(=O)NCC3=C(C=CC(=C3)Cl)N4C=NC=N4)Cl)(F)F

InChI

InChI=1S/C22H18Cl2F2N8O2.3C2H3FO/c23-15-4-5-16(34-13-27-12-32-34)14(7-15)8-29-19(35)10-33-18(24)9-30-20(21(33)36)31-11-22(25,26)17-3-1-2-6-28-17;3*1-2(3)4/h1-7,9,12-13H,8,10-11H2,(H,29,35)(H,30,31);3*1H3