2-[3-[[2,2-bis(fluoranyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]amino]-6-chloranyl-2-oxidanylidene-pyrazin-1-yl]-N-[[3-(1,2,4-triazol-1-yl)pyridin-2-yl]methyl]ethanamide

Systemtic Name: 2-[3-[[2,2-bis(fluoranyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]amino]-6-chloranyl-2-oxidanylidene-pyrazin-1-yl]-N-[[3-(1,2,4-triazol-1-yl)pyridin-2-yl]methyl]ethanamide Openeye Name: 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxo-pyrazin-1-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridyl]methyl]acetamide CAS Name: 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxido-2-pyridin-1-iumyl)ethyl]amino]-2-oxo-1-pyrazinyl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]acetamide IUPAC Name: 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[3-(1,2,4-triazol-1-yl)pyridin-2-yl]methyl]acetamide Traditional Name: 2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-keto-pyrazin-1-yl]-N-[[3-(1,2,4-triazol-1-yl)-2-pyridyl]methyl]acetamide Formula: C21H18ClF2N9O3 MolecularWeight: 517.875926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(CNC2=NC=C(N(C2=O)CC(=O)NCC3=C(C=CC=N3)N4C=NC=N4)Cl)(F)F)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(CNC2=NC=C(N(C2=O)CC(=O)NCC3=C(C=CC=N3)N4C=NC=N4)Cl)(F)F)[O-]

InChI

InChI=1S/C21H18ClF2N9O3/c22-17-9-28-19(29-11-21(23,24)16-5-1-2-7-33(16)36)20(35)31(17)10-18(34)27-8-14-15(4-3-6-26-14)32-13-25-12-30-32/h1-7,9,12-13H,8,10-11H2,(H,27,34)(H,28,29)