2-piperidin-1-ylethyl 8-[bis(fluoranyl)methoxy]-1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylate

Systemtic Name: 2-piperidin-1-ylethyl 8-[bis(fluoranyl)methoxy]-1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: 2-(1-piperidyl)ethyl 8-(difluoromethoxy)-1-ethyl-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylate CAS Name: 8-(difluoromethoxy)-1-ethyl-6-fluoro-4-oxo-7-[4-(2-pyrimidinyl)-1-piperazinyl]-3-quinolinecarboxylic acid 2-(1-piperidinyl)ethyl ester IUPAC Name: 2-piperidin-1-ylethyl 8-(difluoromethoxy)-1-ethyl-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Traditional Name: 8-(difluoromethoxy)-1-ethyl-6-fluoro-4-keto-7-[4-(2-pyrimidyl)piperazino]quinoline-3-carboxylic acid 2-piperidinoethyl ester Formula: C28H33F3N6O4 MolecularWeight: 574.59463

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)OC(F)F)N3CCN(CC3)C4=NC=CC=N4)F)C(=O)OCCN5CCCCC5

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)OC(F)F)N3CCN(CC3)C4=NC=CC=N4)F)C(=O)OCCN5CCCCC5

InChI

InChI=1S/C28H33F3N6O4/c1-2-35-18-20(26(39)40-16-15-34-9-4-3-5-10-34)24(38)19-17-21(29)23(25(22(19)35)41-27(30)31)36-11-13-37(14-12-36)28-32-7-6-8-33-28/h6-8,17-18,27H,2-5,9-16H2,1H3