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

Systemtic Name: 8-chloranyl-6-fluoranyl-1-(2-fluoranylethyl)-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-chloro-6-fluoro-1-(2-fluoroethyl)-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-6-fluoro-1-(2-fluoroethyl)-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-6-fluoro-1-(2-fluoroethyl)-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-chloro-6-fluoro-1-(2-fluoroethyl)-4-keto-5-methyl-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C18H20ClF2N3O3 MolecularWeight: 399.819506

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C(=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)CCF)C)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C(=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)CCF)C)F

InChI

InChI=1S/C18H20ClF2N3O3/c1-9-7-24(6-4-22-9)16-13(19)15-12(10(2)14(16)21)17(25)11(18(26)27)8-23(15)5-3-20/h8-9,22H,3-7H2,1-2H3,(H,26,27)