6-fluoranyl-1-(4-hydroxyphenyl)-8-methoxy-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid hydrochloride

Systemtic Name: 6-fluoranyl-1-(4-hydroxyphenyl)-8-methoxy-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid hydrochloride Openeye Name: 6-fluoro-1-(4-hydroxyphenyl)-8-methoxy-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid hydrochloride CAS Name: 6-fluoro-1-(4-hydroxyphenyl)-8-methoxy-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid hydrochloride IUPAC Name: 6-fluoro-1-(4-hydroxyphenyl)-8-methoxy-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid hydrochloride Traditional Name: 6-fluoro-1-(4-hydroxyphenyl)-4-keto-8-methoxy-7-piperazino-quinoline-3-carboxylic acid hydrochloride Formula: C21H21ClFN3O5 MolecularWeight: 449.859943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCNCC3)F)C(=O)C(=CN2C4=CC=C(C=C4)O)C(=O)O.Cl

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCNCC3)F)C(=O)C(=CN2C4=CC=C(C=C4)O)C(=O)O.Cl

InChI

InChI=1S/C21H20FN3O5.ClH/c1-30-20-17-14(10-16(22)18(20)24-8-6-23-7-9-24)19(27)15(21(28)29)11-25(17)12-2-4-13(26)5-3-12;/h2-5,10-11,23,26H,6-9H2,1H3,(H,28,29);1H