N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-nitro-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-nitro-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-nitro-benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-nitrobenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-nitrobenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-nitro-benzamide Formula: C19H23N3O3S MolecularWeight: 373.46922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S/c23-19(16-7-3-4-8-17(16)22(24)25)20-13-18(15-9-12-26-14-15)21-10-5-1-2-6-11-21/h3-4,7-9,12,14,18H,1-2,5-6,10-11,13H2,(H,20,23)