1-[2,4-bis(fluoranyl)phenyl]-6,8-bis(fluoranyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-6,8-bis(fluoranyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-6,8-difluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-6,8-difluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-6,8-difluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-6,8-difluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C20H15F4N3O3 MolecularWeight: 421.345013

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F

InChI

InChI=1S/C20H15F4N3O3/c21-10-1-2-15(13(22)7-10)27-9-12(20(29)30)19(28)11-8-14(23)18(16(24)17(11)27)26-5-3-25-4-6-26/h1-2,7-9,25H,3-6H2,(H,29,30)