6-fluoranyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-1-hexyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-1-hexyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-[4-(4-fluorophenyl)piperazin-1-yl]-1-hexyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-[4-(4-fluorophenyl)-1-piperazinyl]-1-hexyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-7-[4-(4-fluorophenyl)piperazin-1-yl]-1-hexyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-7-[4-(4-fluorophenyl)piperazino]-1-hexyl-4-keto-quinoline-3-carboxylic acid Formula: C26H29F2N3O3 MolecularWeight: 469.523566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=C(C=C4)F)F)C(=O)O

Isomeric SMILES

CCCCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=C(C=C4)F)F)C(=O)O

InChI

InChI=1S/C26H29F2N3O3/c1-2-3-4-5-10-31-17-21(26(33)34)25(32)20-15-22(28)24(16-23(20)31)30-13-11-29(12-14-30)19-8-6-18(27)7-9-19/h6-9,15-17H,2-5,10-14H2,1H3,(H,33,34)