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

Systemtic Name: bis(fluoranyl)boranyl 1-cyclopropyl-6-fluoranyl-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: difluoroboranyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid difluoroboranyl ester IUPAC Name: difluoroboranyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-(3-methylpiperazino)quinoline-3-carboxylic acid difluoroboranyl ester Formula: C19H21BF3N3O4 MolecularWeight: 423.19395

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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)OC)C4CC4)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H21BF3N3O4/c1-10-8-25(6-5-24-10)16-14(21)7-12-15(18(16)29-2)26(11-3-4-11)9-13(17(12)27)19(28)30-20(22)23/h7,9-11,24H,3-6,8H2,1-2H3