7-[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid hydrochloride

Systemtic Name: 7-[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid hydrochloride Openeye Name: 7-[4-(7-chloro-4-quinolyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid hydrochloride CAS Name: 7-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid hydrochloride IUPAC Name: 7-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid hydrochloride Traditional Name: 7-[4-(7-chloro-4-quinolyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid hydrochloride Formula: C26H23Cl2FN4O3 MolecularWeight: 529.390223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=C6C=CC(=CC6=NC=C5)Cl)F)C(=O)O.Cl

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=C6C=CC(=CC6=NC=C5)Cl)F)C(=O)O.Cl

InChI

InChI=1S/C26H22ClFN4O3.ClH/c27-15-1-4-17-21(11-15)29-6-5-22(17)30-7-9-31(10-8-30)24-13-23-18(12-20(24)28)25(33)19(26(34)35)14-32(23)16-2-3-16;/h1,4-6,11-14,16H,2-3,7-10H2,(H,34,35);1H