1-tert-butyl-7-(4-cyclopent-2-en-1-ylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-7-(4-cyclopent-2-en-1-ylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-(4-cyclopent-2-en-1-ylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-[4-(1-cyclopent-2-enyl)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-(4-cyclopent-2-en-1-ylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-(4-cyclopent-2-en-1-ylpiperazino)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H28FN3O3 MolecularWeight: 413.485123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4CCC=C4)F)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4CCC=C4)F)C(=O)O

InChI

InChI=1S/C23H28FN3O3/c1-23(2,3)27-14-17(22(29)30)21(28)16-12-18(24)20(13-19(16)27)26-10-8-25(9-11-26)15-6-4-5-7-15/h4,6,12-15H,5,7-11H2,1-3H3,(H,29,30)