1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(quinolin-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(quinolin-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2-quinolylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2-quinolinylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(quinolin-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-(2-quinolylmethyl)piperazino]quinoline-3-carboxylic acid Formula: C27H25FN4O3 MolecularWeight: 472.510803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5=NC6=CC=CC=C6C=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5=NC6=CC=CC=C6C=C5)F)C(=O)O

InChI

InChI=1S/C27H25FN4O3/c28-22-13-20-24(32(19-7-8-19)16-21(26(20)33)27(34)35)14-25(22)31-11-9-30(10-12-31)15-18-6-5-17-3-1-2-4-23(17)29-18/h1-6,13-14,16,19H,7-12,15H2,(H,34,35)