3-(1-benzofuran-2-yl)-1-cyclopropyl-6-fluoranyl-2-piperazin-1-yl-2,4-dihydroquinoline-3-carboxylic acid

Systemtic Name: 3-(1-benzofuran-2-yl)-1-cyclopropyl-6-fluoranyl-2-piperazin-1-yl-2,4-dihydroquinoline-3-carboxylic acid Openeye Name: 3-(benzofuran-2-yl)-1-cyclopropyl-6-fluoro-2-piperazin-1-yl-2,4-dihydroquinoline-3-carboxylic acid CAS Name: 3-(2-benzofuranyl)-1-cyclopropyl-6-fluoro-2-(1-piperazinyl)-2,4-dihydroquinoline-3-carboxylic acid IUPAC Name: 3-(1-benzofuran-2-yl)-1-cyclopropyl-6-fluoro-2-piperazin-1-yl-2,4-dihydroquinoline-3-carboxylic acid Traditional Name: 3-(benzofuran-2-yl)-1-cyclopropyl-6-fluoro-2-piperazino-2,4-dihydroquinoline-3-carboxylic acid Formula: C25H26FN3O3 MolecularWeight: 435.490643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(C(CC3=C2C=CC(=C3)F)(C4=CC5=CC=CC=C5O4)C(=O)O)N6CCNCC6

Isomeric SMILES

C1CC1N2C(C(CC3=C2C=CC(=C3)F)(C4=CC5=CC=CC=C5O4)C(=O)O)N6CCNCC6

InChI

InChI=1S/C25H26FN3O3/c26-18-5-8-20-17(13-18)15-25(24(30)31,22-14-16-3-1-2-4-21(16)32-22)23(29(20)19-6-7-19)28-11-9-27-10-12-28/h1-5,8,13-14,19,23,27H,6-7,9-12,15H2,(H,30,31)