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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(C)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC1CN(CCN1CC(C)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C22H28FN3O3/c1-13(2)10-24-6-7-25(11-14(24)3)20-9-19-16(8-18(20)23)21(27)17(22(28)29)12-26(19)15-4-5-15/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,28,29)