bis(fluoranyl)boranyl 8-bromanyl-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: bis(fluoranyl)boranyl 8-bromanyl-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: difluoroboranyl 8-bromo-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 8-bromo-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid difluoroboranyl ester IUPAC Name: difluoroboranyl 8-bromo-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 8-bromo-1-cyclopropyl-7-(3,5-dimethylpiperazino)-6-fluoro-4-keto-quinoline-3-carboxylic acid difluoroboranyl ester Formula: C19H20BBrF3N3O3 MolecularWeight: 486.09061

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Descriptors Computed from Structure

Canonical SMILES:

B(OC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CC(NC(C3)C)C)Br)C4CC4)(F)F

Isomeric SMILES

B(OC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CC(NC(C3)C)C)Br)C4CC4)(F)F

InChI

InChI=1S/C19H20BBrF3N3O3/c1-9-6-26(7-10(2)25-9)17-14(22)5-12-16(15(17)21)27(11-3-4-11)8-13(18(12)28)19(29)30-20(23)24/h5,8-11,25H,3-4,6-7H2,1-2H3