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

Systemtic Name: 8-chloranyl-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-1-phenyl-quinoline-3-carboxylic acid Openeye Name: 8-chloro-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-phenyl-quinoline-3-carboxylic acid CAS Name: 8-chloro-6-fluoro-7-(3-methyl-1-piperazinyl)-4-oxo-1-phenyl-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-phenylquinoline-3-carboxylic acid Traditional Name: 8-chloro-6-fluoro-4-keto-7-(3-methylpiperazino)-1-phenyl-quinoline-3-carboxylic acid Formula: C21H19ClFN3O3 MolecularWeight: 415.845263

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F

InChI

InChI=1S/C21H19ClFN3O3/c1-12-10-25(8-7-24-12)19-16(23)9-14-18(17(19)22)26(13-5-3-2-4-6-13)11-15(20(14)27)21(28)29/h2-6,9,11-12,24H,7-8,10H2,1H3,(H,28,29)