1-ethyl-6,8-bis(fluoranyl)-7-[(4-methylpiperazin-1-yl)amino]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-[(4-methylpiperazin-1-yl)amino]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-7-[(4-methylpiperazin-1-yl)amino]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-7-[(4-methyl-1-piperazinyl)amino]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-7-[(4-methylpiperazin-1-yl)amino]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-[(4-methylpiperazino)amino]quinoline-3-carboxylic acid Formula: C17H20F2N4O3 MolecularWeight: 366.362506

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)NN3CCN(CC3)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)NN3CCN(CC3)C)F)C(=O)O

InChI

InChI=1S/C17H20F2N4O3/c1-3-22-9-11(17(25)26)16(24)10-8-12(18)14(13(19)15(10)22)20-23-6-4-21(2)5-7-23/h8-9,20H,3-7H2,1-2H3,(H,25,26)