N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(3,4-dimethoxyphenyl)ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(3,4-dimethoxyphenyl)acetamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NCC(C2=CSC=C2)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NCC(C2=CSC=C2)N3CCCCCC3)OC

InChI

InChI=1S/C22H30N2O3S/c1-26-20-8-7-17(13-21(20)27-2)14-22(25)23-15-19(18-9-12-28-16-18)24-10-5-3-4-6-11-24/h7-9,12-13,16,19H,3-6,10-11,14-15H2,1-2H3,(H,23,25)