1-cyclopropyl-7-(3-ethynyl-4-methyl-piperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(3-ethynyl-4-methyl-piperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(3-ethynyl-4-methyl-piperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(3-ethynyl-4-methyl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(3-ethynyl-4-methylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(3-ethynyl-4-methyl-piperazino)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H20FN3O3 MolecularWeight: 369.389503

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1C#C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CN1CCN(CC1C#C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C20H20FN3O3/c1-3-12-10-23(7-6-22(12)2)18-9-17-14(8-16(18)21)19(25)15(20(26)27)11-24(17)13-4-5-13/h1,8-9,11-13H,4-7,10H2,2H3,(H,26,27)