1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(3-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(3-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[3-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C22H21FN4O3 MolecularWeight: 408.425543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CC=CC=N5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CC=CC=N5)F)C(=O)O

InChI

InChI=1S/C22H21FN4O3/c23-16-9-14-19(27(13-4-5-13)11-15(21(14)28)22(29)30)10-20(16)26-8-7-25-18(12-26)17-3-1-2-6-24-17/h1-3,6,9-11,13,18,25H,4-5,7-8,12H2,(H,29,30)