bis(fluoranyl)boranyl 1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: bis(fluoranyl)boranyl 1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: difluoroboranyl 1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-4-oxo-3-quinolinecarboxylic acid difluoroboranyl ester IUPAC Name: difluoroboranyl 1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-8-methyl-quinoline-3-carboxylic acid difluoroboranyl ester Formula: C23H21BF2N2O3 MolecularWeight: 422.232246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(OC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C)N3CCC4=CC=CC=C4C3)C5CC5)(F)F

Isomeric SMILES

B(OC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C)N3CCC4=CC=CC=C4C3)C5CC5)(F)F

InChI

InChI=1S/C23H21BF2N2O3/c1-14-20(27-11-10-15-4-2-3-5-16(15)12-27)9-8-18-21(14)28(17-6-7-17)13-19(22(18)29)23(30)31-24(25)26/h2-5,8-9,13,17H,6-7,10-12H2,1H3