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

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-heptylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-(4-heptylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-(4-heptyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-(4-heptylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-(4-heptylpiperazino)-4-keto-quinoline-3-carboxylic acid Formula: C23H32FN3O3 MolecularWeight: 417.516883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

Isomeric SMILES

CCCCCCCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

InChI

InChI=1S/C23H32FN3O3/c1-3-5-6-7-8-9-25-10-12-27(13-11-25)21-15-20-17(14-19(21)24)22(28)18(23(29)30)16-26(20)4-2/h14-16H,3-13H2,1-2H3,(H,29,30)