7-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(5-bromo-2-pyridyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H20BrFN4O3 MolecularWeight: 487.321603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=NC=C(C=C5)Br)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=NC=C(C=C5)Br)F)C(=O)O

InChI

InChI=1S/C22H20BrFN4O3/c23-13-1-4-20(25-11-13)27-7-5-26(6-8-27)19-10-18-15(9-17(19)24)21(29)16(22(30)31)12-28(18)14-2-3-14/h1,4,9-12,14H,2-3,5-8H2,(H,30,31)