6-fluoranyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 6-fluoranyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 6-fluoro-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 6-fluoro-3-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 6-fluoro-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 6-fluoro-3-[[4-(2-hydroxyethyl)piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C23H24FN3O3 MolecularWeight: 409.453363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)CC2=C(N=C3C=CC(=CC3=C2C(=O)O)F)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCO)CC2=C(N=C3C=CC(=CC3=C2C(=O)O)F)C4=CC=CC=C4

InChI

InChI=1S/C23H24FN3O3/c24-17-6-7-20-18(14-17)21(23(29)30)19(22(25-20)16-4-2-1-3-5-16)15-27-10-8-26(9-11-27)12-13-28/h1-7,14,28H,8-13,15H2,(H,29,30)