7-(3,4-dimethylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3,4-dimethylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3,4-dimethylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3,4-dimethyl-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3,4-dimethylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3,4-dimethylpiperazino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H22FN3O3 MolecularWeight: 347.383983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN3O3/c1-4-21-10-13(18(24)25)17(23)12-7-14(19)16(8-15(12)21)22-6-5-20(3)11(2)9-22/h7-8,10-11H,4-6,9H2,1-3H3,(H,24,25)