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

Systemtic Name: bis(fluoranyl)boranyl 1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: difluoroboranyl 1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-8-methyl-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid difluoroboranyl ester IUPAC Name: difluoroboranyl 1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-4-keto-8-methyl-7-(4-methylpiperazino)quinoline-3-carboxylic acid difluoroboranyl ester Formula: C19H22BF2N3O3 MolecularWeight: 389.204086

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Descriptors Computed from Structure

Canonical SMILES:

B(OC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C)N3CCN(CC3)C)C4CC4)(F)F

Isomeric SMILES

B(OC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C)N3CCN(CC3)C)C4CC4)(F)F

InChI

InChI=1S/C19H22BF2N3O3/c1-12-16(24-9-7-23(2)8-10-24)6-5-14-17(12)25(13-3-4-13)11-15(18(14)26)19(27)28-20(21)22/h5-6,11,13H,3-4,7-10H2,1-2H3