5,8-bis(fluoranyl)-1-(oxetan-3-yl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 5,8-bis(fluoranyl)-1-(oxetan-3-yl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 5,8-difluoro-1-(oxetan-3-yl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 5,8-difluoro-1-(3-oxetanyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 5,8-difluoro-1-(oxetan-3-yl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 5,8-difluoro-4-keto-1-(oxetan-3-yl)-7-piperazino-quinoline-3-carboxylic acid Formula: C17H17F2N3O4 MolecularWeight: 365.331386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4COC4)F

Isomeric SMILES

C1CN(CCN1)C2=CC(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4COC4)F

InChI

InChI=1S/C17H17F2N3O4/c18-11-5-12(21-3-1-20-2-4-21)14(19)15-13(11)16(23)10(17(24)25)6-22(15)9-7-26-8-9/h5-6,9,20H,1-4,7-8H2,(H,24,25)