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6-(4-chlorophenyl)-2-keto-4-[4-(2-pyridyl)piperazino]pyran-3-carbonitrile
SpectraBase Compound ID 5eu0TLT0IMj
InChI InChI=1S/C21H17ClN4O2/c22-16-6-4-15(5-7-16)19-13-18(17(14-23)21(27)28-19)25-9-11-26(12-10-25)20-3-1-2-8-24-20/h1-8,13H,9-12H2
InChIKey NTFXAVXLVDOSPA-UHFFFAOYSA-N
Mol Weight 392.85 g/mol
Molecular Formula C21H17ClN4O2
Exact Mass 392.104004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8TSTsSKnm4d
Name 6-(4-chlorophenyl)-2-keto-4-[4-(2-pyridyl)piperazino]pyran-3-carbonitrile
Alternate Name(s) 6-(4-chlorophenyl)-2-oxidanylidene-4-(4-pyridin-2-ylpiperazin-1-yl)pyran-3-carbonitrile 6-(4-chlorophenyl)-2-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyran-3-carbonitrile 6-(4-chlorophenyl)-2-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]-3-pyrancarbonitrile 6-(4-chlorophenyl)-2-oxo-4-[4-(2-pyridyl)piperazin-1-yl]pyran-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C21H17ClN4O2
InChI InChI=1S/C21H17ClN4O2/c22-16-6-4-15(5-7-16)19-13-18(17(14-23)21(27)28-19)25-9-11-26(12-10-25)20-3-1-2-8-24-20/h1-8,13H,9-12H2
InChIKey NTFXAVXLVDOSPA-UHFFFAOYSA-N
Molecular Weight 392.846 g/mol
SMILES C1(=C(C=C(OC1=O)c1ccc(cc1)Cl)N1CCN(CC1)c1ncccc1)C#N
SPLASH splash10-0006-0009000000-4ea720d853683d3d30d7
Source of Spectrum K-2001-1957-5
Wiley ID 1579458