1-cyclopropyl-6,8-bis(fluoranyl)-7-[2-(hydroxymethyl)-4-methyl-piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-7-[2-(hydroxymethyl)-4-methyl-piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-7-[2-(hydroxymethyl)-4-methyl-piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-7-[2-(hydroxymethyl)-4-methyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-(4-methyl-2-methylol-piperazino)quinoline-3-carboxylic acid Formula: C19H21F2N3O4 MolecularWeight: 393.384546

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)CO)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CN1CCN(C(C1)CO)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C19H21F2N3O4/c1-22-4-5-23(11(7-22)9-25)17-14(20)6-12-16(15(17)21)24(10-2-3-10)8-13(18(12)26)19(27)28/h6,8,10-11,25H,2-5,7,9H2,1H3,(H,27,28)