1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pyridin-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pyridin-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[oxo(2-pyridinyl)methyl]-1-piperazinyl]-3-quinolinecarboxylate IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-picolinoylpiperazino)quinoline-3-carboxylate Formula: C22H20FN4O4- MolecularWeight: 423.417003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CC=N4)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CC=N4)F)C(=O)[O-]

InChI

InChI=1S/C22H21FN4O4/c1-2-25-13-15(22(30)31)20(28)14-11-16(23)19(12-18(14)25)26-7-9-27(10-8-26)21(29)17-5-3-4-6-24-17/h3-6,11-13H,2,7-10H2,1H3,(H,30,31)/p-1