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

Systemtic Name: 8-[bis(fluoranyl)methoxy]-1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 8-(difluoromethoxy)-1-ethyl-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carbonitrile CAS Name: 8-(difluoromethoxy)-1-ethyl-6-fluoro-4-oxo-7-[4-(2-pyrimidinyl)-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 8-(difluoromethoxy)-1-ethyl-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carbonitrile Traditional Name: 8-(difluoromethoxy)-1-ethyl-6-fluoro-4-keto-7-[4-(2-pyrimidyl)piperazino]quinoline-3-carbonitrile Formula: C21H19F3N6O2 MolecularWeight: 444.40977

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N6O2/c1-2-28-12-13(11-25)18(31)14-10-15(22)17(19(16(14)28)32-20(23)24)29-6-8-30(9-7-29)21-26-4-3-5-27-21/h3-5,10,12,20H,2,6-9H2,1H3