1-tert-butyl-6-fluoranyl-7-[4-(2-methylpropyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-6-fluoranyl-7-[4-(2-methylpropyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-6-fluoro-7-(4-isobutylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-6-fluoro-7-[4-(2-methylpropyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-6-fluoro-7-[4-(2-methylpropyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-6-fluoro-7-(4-isobutylpiperazino)-4-keto-quinoline-3-carboxylic acid Formula: C22H30FN3O3 MolecularWeight: 403.490303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(C)(C)C)F

Isomeric SMILES

CC(C)CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(C)(C)C)F

InChI

InChI=1S/C22H30FN3O3/c1-14(2)12-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)13-26(18)22(3,4)5/h10-11,13-14H,6-9,12H2,1-5H3,(H,28,29)