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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(3-chloranylphenoxy)ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(3-chlorophenoxy)acetamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-(3-chlorophenoxy)acetamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(3-chlorophenoxy)acetamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(3-chlorophenoxy)acetamide Formula: C20H25ClN2O2S MolecularWeight: 392.9427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O2S/c21-17-6-5-7-18(12-17)25-14-20(24)22-13-19(16-8-11-26-15-16)23-9-3-1-2-4-10-23/h5-8,11-12,15,19H,1-4,9-10,13-14H2,(H,22,24)