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

Systemtic Name: 1-ethyl-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C17H20FN3O3 MolecularWeight: 333.357403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C)F)C(=O)O

InChI

InChI=1S/C17H20FN3O3/c1-3-20-9-12(17(23)24)16(22)11-6-13(18)15(7-14(11)20)21-5-4-19-10(2)8-21/h6-7,9-10,19H,3-5,8H2,1-2H3,(H,23,24)