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

Systemtic Name: 6-fluoranyl-1-(2-fluoranylcyclopropyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(2-fluorocyclopropyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(2-fluorocyclopropyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(2-fluorocyclopropyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(2-fluorocyclopropyl)-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C17H17F2N3O3 MolecularWeight: 349.331986

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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)C4CC4F)F

Isomeric SMILES

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

InChI

InChI=1S/C17H17F2N3O3/c18-11-5-9-13(7-14(11)21-3-1-20-2-4-21)22(15-6-12(15)19)8-10(16(9)23)17(24)25/h5,7-8,12,15,20H,1-4,6H2,(H,24,25)