3-(5-bromanylthiophen-2-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-2-piperazin-1-yl-2H-quinoline-3-carboxylic acid

Systemtic Name: 3-(5-bromanylthiophen-2-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-2-piperazin-1-yl-2H-quinoline-3-carboxylic acid Openeye Name: 3-(5-bromo-2-thienyl)-1-ethyl-6-fluoro-4-oxo-2-piperazin-1-yl-2H-quinoline-3-carboxylic acid CAS Name: 3-(5-bromo-2-thiophenyl)-1-ethyl-6-fluoro-4-oxo-2-(1-piperazinyl)-2H-quinoline-3-carboxylic acid IUPAC Name: 3-(5-bromothiophen-2-yl)-1-ethyl-6-fluoro-4-oxo-2-piperazin-1-yl-2H-quinoline-3-carboxylic acid Traditional Name: 3-(5-bromo-2-thienyl)-1-ethyl-6-fluoro-4-keto-2-piperazino-2H-quinoline-3-carboxylic acid Formula: C20H21BrFN3O3S MolecularWeight: 482.366443

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(C(=O)C2=C1C=CC(=C2)F)(C3=CC=C(S3)Br)C(=O)O)N4CCNCC4

Isomeric SMILES

CCN1C(C(C(=O)C2=C1C=CC(=C2)F)(C3=CC=C(S3)Br)C(=O)O)N4CCNCC4

InChI

InChI=1S/C20H21BrFN3O3S/c1-2-25-14-4-3-12(22)11-13(14)17(26)20(19(27)28,15-5-6-16(21)29-15)18(25)24-9-7-23-8-10-24/h3-6,11,18,23H,2,7-10H2,1H3,(H,27,28)