N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-nitrophenyl)acetamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-nitrophenyl)acetamide Formula: C21H28N4O3 MolecularWeight: 384.47202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C21H28N4O3/c1-23-12-6-7-19(23)20(24-13-4-2-3-5-14-24)16-22-21(26)15-17-8-10-18(11-9-17)25(27)28/h6-12,20H,2-5,13-16H2,1H3,(H,22,26)