(6S)-3-[[2,2-bis(fluoranyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]amino]-N-[(2-fluorophenyl)methyl]-4-oxidanylidene-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

Systemtic Name: (6S)-3-[[2,2-bis(fluoranyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]amino]-N-[(2-fluorophenyl)methyl]-4-oxidanylidene-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide Openeye Name: (6S)-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-N-[(2-fluorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide CAS Name: (6S)-3-[[2,2-difluoro-2-(1-oxido-2-pyridin-1-iumyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide IUPAC Name: (6S)-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-N-[(2-fluorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide Traditional Name: (6S)-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-N-(2-fluorobenzyl)-4-keto-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide Formula: C22H20F3N5O3 MolecularWeight: 459.42111

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CN=C(C(=O)N2C1C(=O)NCC3=CC=CC=C3F)NCC(C4=CC=CC=[N+]4[O-])(F)F

Isomeric SMILES

C1CC2=CN=C(C(=O)N2[C@@H]1C(=O)NCC3=CC=CC=C3F)NCC(C4=CC=CC=[N+]4[O-])(F)F

InChI

InChI=1S/C22H20F3N5O3/c23-16-6-2-1-5-14(16)11-27-20(31)17-9-8-15-12-26-19(21(32)30(15)17)28-13-22(24,25)18-7-3-4-10-29(18)33/h1-7,10,12,17H,8-9,11,13H2,(H,26,28)(H,27,31)/t17-/m0/s1