N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-pyridin-4-yl-ethanediamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-pyridin-4-yl-ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(4-pyridyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-pyridin-4-yloxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-pyridin-4-yloxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(4-pyridyl)oxamide Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C(=O)NC2=CC=NC=C2)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C(=O)NC2=CC=NC=C2)C3=CSC=C3

InChI

InChI=1S/C19H24N4O2S/c24-18(19(25)22-16-5-8-20-9-6-16)21-13-17(15-7-12-26-14-15)23-10-3-1-2-4-11-23/h5-9,12,14,17H,1-4,10-11,13H2,(H,21,24)(H,20,22,25)