N-[2-(azepan-1-ylcarbonyl)-1-benzofuran-3-yl]-2-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)-1-benzofuran-3-yl]-2-(3,4-dimethoxyphenyl)ethanamide Openeye Name: N-[2-(azepane-1-carbonyl)benzofuran-3-yl]-2-(3,4-dimethoxyphenyl)acetamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]-3-benzofuranyl]-2-(3,4-dimethoxyphenyl)acetamide IUPAC Name: N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(3,4-dimethoxyphenyl)acetamide Traditional Name: N-[2-(azepane-1-carbonyl)benzofuran-3-yl]-2-(3,4-dimethoxyphenyl)acetamide Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2=C(OC3=CC=CC=C32)C(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC2=C(OC3=CC=CC=C32)C(=O)N4CCCCCC4)OC

InChI

InChI=1S/C25H28N2O5/c1-30-20-12-11-17(15-21(20)31-2)16-22(28)26-23-18-9-5-6-10-19(18)32-24(23)25(29)27-13-7-3-4-8-14-27/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,26,28)