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

Systemtic Name: 6-fluoranyl-3-[[4-(3-oxidanylpropyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 6-fluoro-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 6-fluoro-3-[[4-(3-hydroxypropyl)-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 6-fluoro-3-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 6-fluoro-3-[[4-(3-hydroxypropyl)piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C24H26FN3O3 MolecularWeight: 423.479943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCO)CC2=C(N=C3C=CC(=CC3=C2C(=O)O)F)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCO)CC2=C(N=C3C=CC(=CC3=C2C(=O)O)F)C4=CC=CC=C4

InChI

InChI=1S/C24H26FN3O3/c25-18-7-8-21-19(15-18)22(24(30)31)20(23(26-21)17-5-2-1-3-6-17)16-28-12-10-27(11-13-28)9-4-14-29/h1-3,5-8,15,29H,4,9-14,16H2,(H,30,31)