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6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-pyridine-3-carboxamide
SpectraBase Compound ID ITe0EfqcYlk
InChI InChI=1S/C27H28N4O4S/c1-18-24(26(33)30-20-10-5-6-11-21(20)34-2)25(22-12-9-15-35-22)19(16-28)27(29-18)36-17-23(32)31-13-7-3-4-8-14-31/h5-6,9-12,15H,3-4,7-8,13-14,17H2,1-2H3,(H,30,33)
InChIKey SXLJFDJWBKNVNK-UHFFFAOYSA-N
Mol Weight 504.61 g/mol
Molecular Formula C27H28N4O4S
Exact Mass 504.183127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IC3X4kanEsu
Name 6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-pyridine-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28N4O4S
InChI InChI=1S/C27H28N4O4S/c1-18-24(26(33)30-20-10-5-6-11-21(20)34-2)25(22-12-9-15-35-22)19(16-28)27(29-18)36-17-23(32)31-13-7-3-4-8-14-31/h5-6,9-12,15H,3-4,7-8,13-14,17H2,1-2H3,(H,30,33)
InChIKey SXLJFDJWBKNVNK-UHFFFAOYSA-N
Molecular Weight 504.605 g/mol
SMILES N(C(c1c(c(C#N)c(nc1C)SCC(N1CCCCCC1)=O)-c1occc1)=O)c1c(OC)cccc1
SPLASH splash10-0007-9411000000-0bb186c6b6ced124075e
Synonyms 6-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5-cyano-4-(2-furyl)-N-(2-methoxyphenyl)-2-methyl-pyridine-3-carboxamide 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methylpyridine-3-carboxamide 6-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-cyano-4-(2-furanyl)-N-(2-methoxyphenyl)-2-methyl-3-pyridinecarboxamide 6-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5-cyano-4-(2-furyl)-N-(2-methoxyphenyl)-2-methyl-nicotinamide
Wiley ID 1454441