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3-Pyridinecarboxamide, N-[2-(3,4-diethoxyphenyl)ethyl]-6-(hexahydro-1H-azepin-1-yl)-
SpectraBase Compound ID IC12JO7z3wn
InChI InChI=1S/C24H33N3O3/c1-3-29-21-11-9-19(17-22(21)30-4-2)13-14-25-24(28)20-10-12-23(26-18-20)27-15-7-5-6-8-16-27/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,25,28)
InChIKey DALJKEINQPYJBN-UHFFFAOYSA-N
Mol Weight 411.5 g/mol
Molecular Formula C24H33N3O3
Exact Mass 411.252192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSMquD5YH9m
Name 3-Pyridinecarboxamide, N-[2-(3,4-diethoxyphenyl)ethyl]-6-(hexahydro-1H-azepin-1-yl)-
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Formula C24H33N3O3
InChI InChI=1S/C24H33N3O3/c1-3-29-21-11-9-19(17-22(21)30-4-2)13-14-25-24(28)20-10-12-23(26-18-20)27-15-7-5-6-8-16-27/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,25,28)
InChIKey DALJKEINQPYJBN-UHFFFAOYSA-N
Molecular Weight 411.546 g/mol
SMILES N(CCc1cc(c(cc1)OCC)OCC)C(c1cnc(cc1)N1CCCCCC1)=O
SPLASH splash10-0006-4930000000-386804391c984a8968ad
Source of Spectrum IY-1-4533-6
Synonyms 6-(1-azepanyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-pyridinecarboxamide 6-(azepan-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide
Wiley ID 1653319