1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-7-methyl-4-oxidanylidene-3-piperazin-1-yl-2H-quinoline-3-carboxylic acid

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-7-methyl-4-oxidanylidene-3-piperazin-1-yl-2H-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-6-fluoro-7-methyl-4-oxo-3-piperazin-1-yl-2H-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-7-methyl-4-oxo-3-(1-piperazinyl)-2H-quinoline-3-carboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-6-fluoro-7-methyl-4-oxo-3-piperazin-1-yl-2H-quinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-6-fluoro-4-keto-7-methyl-3-piperazino-2H-quinoline-3-carboxylic acid Formula: C21H20F3N3O3 MolecularWeight: 419.39701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)N(CC(C2=O)(C(=O)O)N3CCNCC3)C4=C(C=C(C=C4)F)F)F

Isomeric SMILES

CC1=C(C=C2C(=C1)N(CC(C2=O)(C(=O)O)N3CCNCC3)C4=C(C=C(C=C4)F)F)F

InChI

InChI=1S/C21H20F3N3O3/c1-12-8-18-14(10-15(12)23)19(28)21(20(29)30,26-6-4-25-5-7-26)11-27(18)17-3-2-13(22)9-16(17)24/h2-3,8-10,25H,4-7,11H2,1H3,(H,29,30)