N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-phenyl-propanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-phenyl-propanamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-phenyl-propanamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3-phenylpropanamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-phenyl-propionamide Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)CCC2=CC=CC=C2)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)CCC2=CC=CC=C2)C3=CSC=C3

InChI

InChI=1S/C21H28N2OS/c24-21(11-10-18-8-4-3-5-9-18)22-16-20(19-12-15-25-17-19)23-13-6-1-2-7-14-23/h3-5,8-9,12,15,17,20H,1-2,6-7,10-11,13-14,16H2,(H,22,24)