1-cyclopropyl-6-fluoranyl-8-(hydroxymethyl)-4-oxidanylidene-7-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-(hydroxymethyl)-4-oxidanylidene-7-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-(4-benzylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-(hydroxymethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-(hydroxymethyl)-4-oxo-7-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 7-(4-benzylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-benzylpiperazino)-1-cyclopropyl-6-fluoro-4-keto-8-methylol-quinoline-3-carboxylic acid Formula: C25H26FN3O4 MolecularWeight: 451.490043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)CO)N4CCN(CC4)CC5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)CO)N4CCN(CC4)CC5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C25H26FN3O4/c26-21-12-18-22(29(17-6-7-17)14-19(24(18)31)25(32)33)20(15-30)23(21)28-10-8-27(9-11-28)13-16-4-2-1-3-5-16/h1-5,12,14,17,30H,6-11,13,15H2,(H,32,33)