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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[3-(fluoranylmethyl)-4-methyl-piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[3-(fluoromethyl)-4-methyl-piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[3-(fluoromethyl)-4-methyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[3-(fluoromethyl)-4-methyl-piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C18H21F2N3O3 MolecularWeight: 365.374446

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)CF)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)CF)C)F)C(=O)O

InChI

InChI=1S/C18H21F2N3O3/c1-3-22-10-13(18(25)26)17(24)12-6-14(20)16(7-15(12)22)23-5-4-21(2)11(8-19)9-23/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,25,26)