5-azanyl-1-[2,4-bis(fluoranyl)phenyl]-6,8-bis(fluoranyl)-4-oxidanylidene-7-[3-(1,2,3-triazol-1-yl)pyrrolidin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-[2,4-bis(fluoranyl)phenyl]-6,8-bis(fluoranyl)-4-oxidanylidene-7-[3-(1,2,3-triazol-1-yl)pyrrolidin-1-yl]quinoline-3-carboxylic acid Openeye Name: 5-amino-1-(2,4-difluorophenyl)-6,8-difluoro-4-oxo-7-[3-(triazol-1-yl)pyrrolidin-1-yl]quinoline-3-carboxylic acid CAS Name: 5-amino-1-(2,4-difluorophenyl)-6,8-difluoro-4-oxo-7-[3-(1-triazolyl)-1-pyrrolidinyl]-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-(2,4-difluorophenyl)-6,8-difluoro-4-oxo-7-[3-(triazol-1-yl)pyrrolidin-1-yl]quinoline-3-carboxylic acid Traditional Name: 5-amino-1-(2,4-difluorophenyl)-6,8-difluoro-4-keto-7-[3-(triazol-1-yl)pyrrolidino]quinoline-3-carboxylic acid Formula: C22H16F4N6O3 MolecularWeight: 488.394453

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N2C=CN=N2)C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4C5=C(C=C(C=C5)F)F)C(=O)O)F

Isomeric SMILES

C1CN(CC1N2C=CN=N2)C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4C5=C(C=C(C=C5)F)F)C(=O)O)F

InChI

InChI=1S/C22H16F4N6O3/c23-10-1-2-14(13(24)7-10)31-9-12(22(34)35)21(33)15-18(27)16(25)20(17(26)19(15)31)30-5-3-11(8-30)32-6-4-28-29-32/h1-2,4,6-7,9,11H,3,5,8,27H2,(H,34,35)