6,8-bis(fluoranyl)-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-2-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-2-carboxylic acid Openeye Name: 6,8-difluoro-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-2-carboxylic acid CAS Name: 6,8-difluoro-1-(methylamino)-7-(4-methyl-1-piperazinyl)-4-oxo-2-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-2-carboxylic acid Traditional Name: 6,8-difluoro-4-keto-1-(methylamino)-7-(4-methylpiperazino)quinaldic acid Formula: C16H18F2N4O3 MolecularWeight: 352.335926

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Descriptors Computed from Structure

Canonical SMILES:

CNN1C(=CC(=O)C2=CC(=C(C(=C21)F)N3CCN(CC3)C)F)C(=O)O

Isomeric SMILES

CNN1C(=CC(=O)C2=CC(=C(C(=C21)F)N3CCN(CC3)C)F)C(=O)O

InChI

InChI=1S/C16H18F2N4O3/c1-19-22-11(16(24)25)8-12(23)9-7-10(17)15(13(18)14(9)22)21-5-3-20(2)4-6-21/h7-8,19H,3-6H2,1-2H3,(H,24,25)