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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-2-yl-ethyl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(2-thienyl)ethyl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[2-(1-azepanyl)-2-thiophen-2-ylethyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[2-(azepan-1-yl)-2-(2-thienyl)ethyl]-2-(2-nitrophenoxy)acetamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)COC2=CC=CC=C2[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)COC2=CC=CC=C2[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C20H25N3O4S/c24-20(15-27-18-9-4-3-8-16(18)23(25)26)21-14-17(19-10-7-13-28-19)22-11-5-1-2-6-12-22/h3-4,7-10,13,17H,1-2,5-6,11-12,14-15H2,(H,21,24)