6-chloranyl-1-cyclopropyl-8-fluoranyl-4-oxidanylidene-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-1-cyclopropyl-8-fluoranyl-4-oxidanylidene-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-chloro-1-cyclopropyl-8-fluoro-4-oxo-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 6-chloro-1-cyclopropyl-8-fluoro-4-oxo-7-(4-phenacyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-1-cyclopropyl-8-fluoro-4-oxo-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-chloro-1-cyclopropyl-8-fluoro-4-keto-7-(4-phenacylpiperazino)quinoline-3-carboxylic acid Formula: C25H23ClFN3O4 MolecularWeight: 483.919223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClFN3O4/c26-19-12-17-22(30(16-6-7-16)13-18(24(17)32)25(33)34)21(27)23(19)29-10-8-28(9-11-29)14-20(31)15-4-2-1-3-5-15/h1-5,12-13,16H,6-11,14H2,(H,33,34)