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

Systemtic Name: bis(fluoranyl)boranyl 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: difluoroboranyl 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid difluoroboranyl ester IUPAC Name: difluoroboranyl 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid difluoroboranyl ester Formula: C17H17BF3N3O3 MolecularWeight: 379.14139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(OC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4CC4)(F)F

Isomeric SMILES

B(OC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4CC4)(F)F

InChI

InChI=1S/C17H17BF3N3O3/c19-13-7-11-14(8-15(13)23-5-3-22-4-6-23)24(10-1-2-10)9-12(16(11)25)17(26)27-18(20)21/h7-10,22H,1-6H2