6-fluoranyl-3-[[3-oxidanylidene-4-(2-piperidin-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 6-fluoranyl-3-[[3-oxidanylidene-4-(2-piperidin-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 6-fluoro-3-[[3-oxo-4-[2-(1-piperidyl)ethyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 6-fluoro-3-[[3-oxo-4-[2-(1-piperidinyl)ethyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 6-fluoro-3-[[3-oxo-4-(2-piperidin-1-ylethyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 6-fluoro-3-[[3-keto-4-(2-piperidinoethyl)piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C28H31FN4O3 MolecularWeight: 490.569143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2CCN(CC2=O)CC3=C(N=C4C=CC(=CC4=C3C(=O)O)F)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CCN2CCN(CC2=O)CC3=C(N=C4C=CC(=CC4=C3C(=O)O)F)C5=CC=CC=C5

InChI

InChI=1S/C28H31FN4O3/c29-21-9-10-24-22(17-21)26(28(35)36)23(27(30-24)20-7-3-1-4-8-20)18-32-14-16-33(25(34)19-32)15-13-31-11-5-2-6-12-31/h1,3-4,7-10,17H,2,5-6,11-16,18-19H2,(H,35,36)