3-[2-bis(fluoranyl)boranyl-2-oxidanylidene-ethyl]-1-ethyl-7-(4-methylpiperazin-1-yl)quinolin-4-one

Systemtic Name: 3-[2-bis(fluoranyl)boranyl-2-oxidanylidene-ethyl]-1-ethyl-7-(4-methylpiperazin-1-yl)quinolin-4-one Openeye Name: 3-(2-difluoroboranyl-2-oxo-ethyl)-1-ethyl-7-(4-methylpiperazin-1-yl)quinolin-4-one CAS Name: 3-(2-difluoroboranyl-2-oxoethyl)-1-ethyl-7-(4-methyl-1-piperazinyl)-4-quinolinone IUPAC Name: 3-(2-difluoroboranyl-2-oxoethyl)-1-ethyl-7-(4-methylpiperazin-1-yl)quinolin-4-one Traditional Name: 3-(2-difluoroboranyl-2-keto-ethyl)-1-ethyl-7-(4-methylpiperazino)-4-quinolone Formula: C18H22BF2N3O2 MolecularWeight: 361.193986

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Descriptors Computed from Structure

Canonical SMILES:

B(C(=O)CC1=CN(C2=C(C1=O)C=CC(=C2)N3CCN(CC3)C)CC)(F)F

Isomeric SMILES

B(C(=O)CC1=CN(C2=C(C1=O)C=CC(=C2)N3CCN(CC3)C)CC)(F)F

InChI

InChI=1S/C18H22BF2N3O2/c1-3-23-12-13(10-17(25)19(20)21)18(26)15-5-4-14(11-16(15)23)24-8-6-22(2)7-9-24/h4-5,11-12H,3,6-10H2,1-2H3