7-(4-butan-2-yl-3-methyl-piperazin-1-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(4-butan-2-yl-3-methyl-piperazin-1-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-(3-methyl-4-sec-butyl-piperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-butan-2-yl-3-methyl-1-piperazinyl)-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-butan-2-yl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(3-methyl-4-sec-butyl-piperazino)quinoline-3-carboxylic acid Formula: C22H28FN3O3 MolecularWeight: 401.474423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CCC(C)N1CCN(CC1C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C22H28FN3O3/c1-4-13(2)25-8-7-24(11-14(25)3)20-10-19-16(9-18(20)23)21(27)17(22(28)29)12-26(19)15-5-6-15/h9-10,12-15H,4-8,11H2,1-3H3,(H,28,29)