bis(fluoranyl)boranyl 8-bromanyl-1-cyclopropyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: bis(fluoranyl)boranyl 8-bromanyl-1-cyclopropyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: difluoroboranyl 8-bromo-1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 8-bromo-1-cyclopropyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid difluoroboranyl ester IUPAC Name: difluoroboranyl 8-bromo-1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 8-bromo-1-cyclopropyl-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid difluoroboranyl ester Formula: C18H18BBrF3N3O3 MolecularWeight: 472.06403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(OC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(CC3)C)Br)C4CC4)(F)F

Isomeric SMILES

B(OC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(CC3)C)Br)C4CC4)(F)F

InChI

InChI=1S/C18H18BBrF3N3O3/c1-24-4-6-25(7-5-24)16-13(21)8-11-15(14(16)20)26(10-2-3-10)9-12(17(11)27)18(28)29-19(22)23/h8-10H,2-7H2,1H3