1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-phenacyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(4-phenacylpiperazino)quinoline-3-carboxylic acid Formula: C25H24FN3O4 MolecularWeight: 449.474163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC(=O)C5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC(=O)C5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C25H24FN3O4/c26-20-12-18-21(29(17-6-7-17)14-19(24(18)31)25(32)33)13-22(20)28-10-8-27(9-11-28)15-23(30)16-4-2-1-3-5-16/h1-5,12-14,17H,6-11,15H2,(H,32,33)