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

Systemtic Name: 6-fluoranyl-3-[[3-oxidanylidene-4-(3-oxidanylpropyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 6-fluoro-3-[[4-(3-hydroxypropyl)-3-oxo-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 6-fluoro-3-[[4-(3-hydroxypropyl)-3-oxo-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 6-fluoro-3-[[4-(3-hydroxypropyl)-3-oxopiperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 6-fluoro-3-[[4-(3-hydroxypropyl)-3-keto-piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C24H24FN3O4 MolecularWeight: 437.463463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC2=C(N=C3C=CC(=CC3=C2C(=O)O)F)C4=CC=CC=C4)CCCO

Isomeric SMILES

C1CN(C(=O)CN1CC2=C(N=C3C=CC(=CC3=C2C(=O)O)F)C4=CC=CC=C4)CCCO

InChI

InChI=1S/C24H24FN3O4/c25-17-7-8-20-18(13-17)22(24(31)32)19(23(26-20)16-5-2-1-3-6-16)14-27-10-11-28(9-4-12-29)21(30)15-27/h1-3,5-8,13,29H,4,9-12,14-15H2,(H,31,32)