7-[3-(1-benzofuran-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4H-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(1-benzofuran-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4H-quinoline-3-carboxylic acid Openeye Name: 7-[3-(benzofuran-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4H-quinoline-3-carboxylic acid CAS Name: 7-[3-(2-benzofuranyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4H-quinoline-3-carboxylic acid IUPAC Name: 7-[3-(1-benzofuran-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4H-quinoline-3-carboxylic acid Traditional Name: 7-[3-(benzofuran-2-yl)piperazino]-1-cyclopropyl-6-fluoro-4H-quinoline-3-carboxylic acid Formula: C25H24FN3O3 MolecularWeight: 433.474763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(CC3=CC(=C(C=C32)N4CCNC(C4)C5=CC6=CC=CC=C6O5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(CC3=CC(=C(C=C32)N4CCNC(C4)C5=CC6=CC=CC=C6O5)F)C(=O)O

InChI

InChI=1S/C25H24FN3O3/c26-19-10-16-9-17(25(30)31)13-29(18-5-6-18)21(16)12-22(19)28-8-7-27-20(14-28)24-11-15-3-1-2-4-23(15)32-24/h1-4,10-13,18,20,27H,5-9,14H2,(H,30,31)