5-azanyl-6-fluoranyl-1-(oxetan-3-yl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-6-fluoranyl-1-(oxetan-3-yl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 5-amino-6-fluoro-1-(oxetan-3-yl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 5-amino-6-fluoro-1-(3-oxetanyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-6-fluoro-1-(oxetan-3-yl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 5-amino-6-fluoro-4-keto-1-(oxetan-3-yl)-7-piperazino-quinoline-3-carboxylic acid Formula: C17H19FN4O4 MolecularWeight: 362.355563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19FN4O4/c18-14-12(21-3-1-20-2-4-21)5-11-13(15(14)19)16(23)10(17(24)25)6-22(11)9-7-26-8-9/h5-6,9,20H,1-4,7-8,19H2,(H,24,25)