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N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-2-(thiophen-2-yl)acetamide

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N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-2-(thiophen-2-yl)acetamide
SpectraBase Compound ID 8xhKFy1uESi
InChI InChI=1S/C19H21ClN2O2S/c20-15-6-3-5-14(11-15)13-22-9-2-1-8-17(19(22)24)21-18(23)12-16-7-4-10-25-16/h3-7,10-11,17H,1-2,8-9,12-13H2,(H,21,23)
InChIKey GEIBLSCSNRLBGX-UHFFFAOYSA-N
Mol Weight 376.9 g/mol
Molecular Formula C19H21ClN2O2S
Exact Mass 376.101227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HCLhgdr5bvU
Name N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-2-(thiophen-2-yl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 376.101226796 u
Formula C19H21ClN2O2S
InChI InChI=1S/C19H21ClN2O2S/c20-15-6-3-5-14(11-15)13-22-9-2-1-8-17(19(22)24)21-18(23)12-16-7-4-10-25-16/h3-7,10-11,17H,1-2,8-9,12-13H2,(H,21,23)
InChIKey GEIBLSCSNRLBGX-UHFFFAOYSA-N
Molecular Weight 376.902 g/mol
SMILES C(CC1=CC=CS1)(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)Cl)=O