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

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

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Descriptors Computed from Structure

Canonical SMILES:

B(OC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCNC(C3)C)Br)C4CC4)(F)F

Isomeric SMILES

B(OC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCNC(C3)C)Br)C4CC4)(F)F

InChI

InChI=1S/C18H18BBrF3N3O3/c1-9-7-25(5-4-24-9)16-13(21)6-11-15(14(16)20)26(10-2-3-10)8-12(17(11)27)18(28)29-19(22)23/h6,8-10,24H,2-5,7H2,1H3