1-ethyl-6-fluoranyl-7-[3-(fluoranylmethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[3-(fluoranylmethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[3-(fluoromethyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[3-(fluoromethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[3-(fluoromethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[3-(fluoromethyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C17H19F2N3O3 MolecularWeight: 351.347866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)CF)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)CF)F)C(=O)O

InChI

InChI=1S/C17H19F2N3O3/c1-2-21-9-12(17(24)25)16(23)11-5-13(19)15(6-14(11)21)22-4-3-20-10(7-18)8-22/h5-6,9-10,20H,2-4,7-8H2,1H3,(H,24,25)