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

Systemtic Name: bis(fluoranyl)boranyl 8-bromanyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: difluoroboranyl 8-bromo-1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: 8-bromo-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid difluoroboranyl ester IUPAC Name: difluoroboranyl 8-bromo-1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 8-bromo-1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid difluoroboranyl ester Formula: C17H16BBrF3N3O3 MolecularWeight: 458.03745

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)N3CCNCC3)Br)C4CC4)(F)F

Isomeric SMILES

B(OC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCNCC3)Br)C4CC4)(F)F

InChI

InChI=1S/C17H16BBrF3N3O3/c19-13-14-10(7-12(20)15(13)24-5-3-23-4-6-24)16(26)11(17(27)28-18(21)22)8-25(14)9-1-2-9/h7-9,23H,1-6H2