1-ethyl-6-fluoranyl-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-5-methyl-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C18H22FN3O3 MolecularWeight: 347.383983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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