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

Systemtic Name: 6-fluoranyl-1-(2-fluoranylethyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(2-fluoroethyl)-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(2-fluoroethyl)-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(2-fluoroethyl)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(2-fluoroethyl)-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C17H19F2N3O3 MolecularWeight: 351.347866

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C17H19F2N3O3/c1-10-8-22(5-3-20-10)15-7-14-11(6-13(15)19)16(23)12(17(24)25)9-21(14)4-2-18/h6-7,9-10,20H,2-5,8H2,1H3,(H,24,25)