bis(fluoranyl)boranyl 1-cyclopropyl-7-(3,5-dimethylpiperidin-1-yl)-8-methyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: bis(fluoranyl)boranyl 1-cyclopropyl-7-(3,5-dimethylpiperidin-1-yl)-8-methyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: difluoroboranyl 1-cyclopropyl-7-(3,5-dimethyl-1-piperidyl)-8-methyl-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7-(3,5-dimethyl-1-piperidinyl)-8-methyl-4-oxo-3-quinolinecarboxylic acid difluoroboranyl ester IUPAC Name: difluoroboranyl 1-cyclopropyl-7-(3,5-dimethylpiperidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-7-(3,5-dimethylpiperidino)-4-keto-8-methyl-quinoline-3-carboxylic acid difluoroboranyl ester Formula: C21H25BF2N2O3 MolecularWeight: 402.242606

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Descriptors Computed from Structure

Canonical SMILES:

B(OC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C)N3CC(CC(C3)C)C)C4CC4)(F)F

Isomeric SMILES

B(OC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C)N3CC(CC(C3)C)C)C4CC4)(F)F

InChI

InChI=1S/C21H25BF2N2O3/c1-12-8-13(2)10-25(9-12)18-7-6-16-19(14(18)3)26(15-4-5-15)11-17(20(16)27)21(28)29-22(23)24/h6-7,11-13,15H,4-5,8-10H2,1-3H3