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

Systemtic Name: 7-[3-(1-benzofuran-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(benzofuran-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(2-benzofuranyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(1-benzofuran-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(benzofuran-2-yl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H22FN3O4 MolecularWeight: 447.458283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CC6=CC=CC=C6O5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CC6=CC=CC=C6O5)F)C(=O)O

InChI

InChI=1S/C25H22FN3O4/c26-18-10-16-20(29(15-5-6-15)12-17(24(16)30)25(31)32)11-21(18)28-8-7-27-19(13-28)23-9-14-3-1-2-4-22(14)33-23/h1-4,9-12,15,19,27H,5-8,13H2,(H,31,32)