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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(3-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(4-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-4-yl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[3-(4-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=NC=C5)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN4O3/c23-17-9-15-19(27(14-1-2-14)11-16(21(15)28)22(29)30)10-20(17)26-8-7-25-18(12-26)13-3-5-24-6-4-13/h3-6,9-11,14,18,25H,1-2,7-8,12H2,(H,29,30)