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

Systemtic Name: 6,8-bis(fluoranyl)-1-(2-fluoranylcyclopropyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-1-(2-fluorocyclopropyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-(2-fluorocyclopropyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-(2-fluorocyclopropyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-1-(2-fluorocyclopropyl)-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C17H16F3N3O3 MolecularWeight: 367.32245

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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)C4CC4F)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4F)F

InChI

InChI=1S/C17H16F3N3O3/c18-10-6-12(10)23-7-9(17(25)26)16(24)8-5-11(19)15(13(20)14(8)23)22-3-1-21-2-4-22/h5,7,10,12,21H,1-4,6H2,(H,25,26)