N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-phenoxy-ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-phenoxy-acetamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-phenoxyacetamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-phenoxyacetamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-phenoxy-acetamide Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)COC2=CC=CC=C2)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)COC2=CC=CC=C2)C3=CSC=C3

InChI

InChI=1S/C20H26N2O2S/c23-20(15-24-18-8-4-3-5-9-18)21-14-19(17-10-13-25-16-17)22-11-6-1-2-7-12-22/h3-5,8-10,13,16,19H,1-2,6-7,11-12,14-15H2,(H,21,23)