6-fluoranyl-1-(2-fluoranylethyl)-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(2-fluoranylethyl)-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(2-fluoroethyl)-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(2-fluoroethyl)-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(2-fluoroethyl)-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(2-fluoroethyl)-4-keto-5-methyl-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C18H21F2N3O3 MolecularWeight: 365.374446

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)CCF)C)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)CCF)C)F

InChI

InChI=1S/C18H21F2N3O3/c1-10-8-23(6-4-21-10)14-7-13-15(11(2)16(14)20)17(24)12(18(25)26)9-22(13)5-3-19/h7,9-10,21H,3-6,8H2,1-2H3,(H,25,26)