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

Systemtic Name: 6-fluoranyl-1-(2-fluoranylethyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(2-fluoroethyl)-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C16H17F2N3O3 MolecularWeight: 337.321286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17F2N3O3/c17-1-4-21-9-11(16(23)24)15(22)10-7-12(18)14(8-13(10)21)20-5-2-19-3-6-20/h7-9,19H,1-6H2,(H,23,24)