6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-5-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-5-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-1-(2-fluoroethyl)-5-methyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-(2-fluoroethyl)-5-methyl-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-(2-fluoroethyl)-5-methyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-1-(2-fluoroethyl)-4-keto-5-methyl-7-piperazino-quinoline-3-carboxylic acid Formula: C17H18F3N3O3 MolecularWeight: 369.33833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1F)N3CCNCC3)F)N(C=C(C2=O)C(=O)O)CCF

Isomeric SMILES

CC1=C2C(=C(C(=C1F)N3CCNCC3)F)N(C=C(C2=O)C(=O)O)CCF

InChI

InChI=1S/C17H18F3N3O3/c1-9-11-14(23(5-2-18)8-10(16(11)24)17(25)26)13(20)15(12(9)19)22-6-3-21-4-7-22/h8,21H,2-7H2,1H3,(H,25,26)