1-cyclopropyl-8-ethynyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-8-ethynyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-ethynyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-ethynyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-ethynyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-8-ethynyl-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C20H20FN3O3 MolecularWeight: 369.389503

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2C#C)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2C#C)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

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