1-[[2,6-bis(fluoranyl)phenyl]methyl]-7-bromanyl-6-[[methyl-(phenylmethyl)amino]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[[2,6-bis(fluoranyl)phenyl]methyl]-7-bromanyl-6-[[methyl-(phenylmethyl)amino]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[[benzyl(methyl)amino]methyl]-7-bromo-1-[(2,6-difluorophenyl)methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-bromo-1-[(2,6-difluorophenyl)methyl]-6-[[methyl-(phenylmethyl)amino]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[[benzyl(methyl)amino]methyl]-7-bromo-1-[(2,6-difluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-[[benzyl(methyl)amino]methyl]-7-bromo-1-(2,6-difluorobenzyl)-4-keto-quinoline-3-carboxylic acid Formula: C26H21BrF2N2O3 MolecularWeight: 527.357346

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)CC2=C(C=C3C(=C2)C(=O)C(=CN3CC4=C(C=CC=C4F)F)C(=O)O)Br

Isomeric SMILES

CN(CC1=CC=CC=C1)CC2=C(C=C3C(=C2)C(=O)C(=CN3CC4=C(C=CC=C4F)F)C(=O)O)Br

InChI

InChI=1S/C26H21BrF2N2O3/c1-30(12-16-6-3-2-4-7-16)13-17-10-18-24(11-21(17)27)31(15-20(25(18)32)26(33)34)14-19-22(28)8-5-9-23(19)29/h2-11,15H,12-14H2,1H3,(H,33,34)