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N-[3-(3-pyridylmethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]nicotinamide
SpectraBase Compound ID 9s89byRAX5F
InChI InChI=1S/C22H22N4O2S/c27-20(16-7-5-11-24-14-16)26-22-19(17-8-2-1-3-9-18(17)29-22)21(28)25-13-15-6-4-10-23-12-15/h4-7,10-12,14H,1-3,8-9,13H2,(H,25,28)(H,26,27)
InChIKey SVZYALVWXALKQD-UHFFFAOYSA-N
Mol Weight 406.5 g/mol
Molecular Formula C22H22N4O2S
Exact Mass 406.146347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0TU3CR16rh
Name N-[3-(3-pyridylmethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]nicotinamide
Alternate Name(s) N-[3-(3-pyridylmethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide N-[3-(pyridin-3-ylmethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide N-[3-[oxo-(3-pyridinylmethylamino)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-3-pyridinecarboxamide
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Formula C22H22N4O2S
InChI InChI=1S/C22H22N4O2S/c27-20(16-7-5-11-24-14-16)26-22-19(17-8-2-1-3-9-18(17)29-22)21(28)25-13-15-6-4-10-23-12-15/h4-7,10-12,14H,1-3,8-9,13H2,(H,25,28)(H,26,27)
InChIKey SVZYALVWXALKQD-UHFFFAOYSA-N
Molecular Weight 406.504 g/mol
SMILES N(C(c1c(sc2CCCCCc12)NC(c1cnccc1)=O)=O)Cc1cnccc1
SPLASH splash10-0a4i-9620100000-67490c260fd3afcea443
Wiley ID 1461434