1-[6-azanyl-3,5-bis(fluoranyl)pyridin-2-yl]-8-chloranyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-[6-azanyl-3,5-bis(fluoranyl)pyridin-2-yl]-8-chloranyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(6-amino-3,5-difluoro-2-pyridyl)-8-chloro-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(6-amino-3,5-difluoro-2-pyridyl)-8-chloro-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C19H15ClF3N5O3 MolecularWeight: 453.80231

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=NC(=C(C=C4F)F)N)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=NC(=C(C=C4F)F)N)F

InChI

InChI=1S/C19H15ClF3N5O3/c20-13-14-8(5-10(21)15(13)27-3-1-25-2-4-27)16(29)9(19(30)31)7-28(14)18-12(23)6-11(22)17(24)26-18/h5-7,25H,1-4H2,(H2,24,26)(H,30,31)