1-cyclopropyl-6-fluoranyl-8-(hydroxymethyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-(hydroxymethyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-8-(hydroxymethyl)-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-(hydroxymethyl)-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-(hydroxymethyl)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methylol-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C19H22FN3O4 MolecularWeight: 375.394083

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2CO)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2CO)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C19H22FN3O4/c1-10-7-22(5-4-21-10)17-14(9-24)16-12(6-15(17)20)18(25)13(19(26)27)8-23(16)11-2-3-11/h6,8,10-11,21,24H,2-5,7,9H2,1H3,(H,26,27)