3-(azepan-1-yl)-6-fluoranyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3-(azepan-1-yl)-6-fluoranyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 3-(azepan-1-yl)-6-fluoro-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 3-(1-azepanyl)-6-fluoro-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-(azepan-1-yl)-6-fluoro-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 3-(azepan-1-yl)-6-fluoro-2-(p-tolyl)cinchoninic acid Formula: C23H23FN2O2 MolecularWeight: 378.439323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)F)C(=O)O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)F)C(=O)O)N4CCCCCC4

InChI

InChI=1S/C23H23FN2O2/c1-15-6-8-16(9-7-15)21-22(26-12-4-2-3-5-13-26)20(23(27)28)18-14-17(24)10-11-19(18)25-21/h6-11,14H,2-5,12-13H2,1H3,(H,27,28)