1-[(4-bromophenyl)methyl]-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)methyl]-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)methyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)methyl]-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)methyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(4-bromobenzyl)-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C22H21BrFN3O3 MolecularWeight: 474.322843

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC4=CC=C(C=C4)Br)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC4=CC=C(C=C4)Br)F

InChI

InChI=1S/C22H21BrFN3O3/c1-25-6-8-26(9-7-25)20-11-19-16(10-18(20)24)21(28)17(22(29)30)13-27(19)12-14-2-4-15(23)5-3-14/h2-5,10-11,13H,6-9,12H2,1H3,(H,29,30)