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

Systemtic Name: bis(fluoranyl)boranyl 1-cyclopropyl-8-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: difluoroboranyl 1-cyclopropyl-8-methyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-8-methyl-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid difluoroboranyl ester IUPAC Name: difluoroboranyl 1-cyclopropyl-8-methyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-4-keto-8-methyl-7-piperazino-quinoline-3-carboxylic acid difluoroboranyl ester Formula: C18H20BF2N3O3 MolecularWeight: 375.177506

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Descriptors Computed from Structure

Canonical SMILES:

B(OC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C)N3CCNCC3)C4CC4)(F)F

Isomeric SMILES

B(OC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C)N3CCNCC3)C4CC4)(F)F

InChI

InChI=1S/C18H20BF2N3O3/c1-11-15(23-8-6-22-7-9-23)5-4-13-16(11)24(12-2-3-12)10-14(17(13)25)18(26)27-19(20)21/h4-5,10,12,22H,2-3,6-9H2,1H3