1-ethyl-6-fluoranyl-7-[3-(hexoxymethyl)-4-methyl-piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[3-(hexoxymethyl)-4-methyl-piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[3-(hexoxymethyl)-4-methyl-piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[3-(hexoxymethyl)-4-methyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[3-(hexoxymethyl)-4-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[3-(hexoxymethyl)-4-methyl-piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C24H34FN3O4 MolecularWeight: 447.542863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC1CN(CCN1C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

Isomeric SMILES

CCCCCCOCC1CN(CCN1C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

InChI

InChI=1S/C24H34FN3O4/c1-4-6-7-8-11-32-16-17-14-28(10-9-26(17)3)22-13-21-18(12-20(22)25)23(29)19(24(30)31)15-27(21)5-2/h12-13,15,17H,4-11,14,16H2,1-3H3,(H,30,31)