2-[2-(5-nitrothiophen-2-yl)benzimidazol-1-yl]-1-(3,3,5-trimethylazepan-1-yl)ethanone

Systemtic Name: 2-[2-(5-nitrothiophen-2-yl)benzimidazol-1-yl]-1-(3,3,5-trimethylazepan-1-yl)ethanone Openeye Name: 2-[2-(5-nitro-2-thienyl)benzimidazol-1-yl]-1-(3,3,5-trimethylazepan-1-yl)ethanone CAS Name: 2-[2-(5-nitro-2-thiophenyl)-1-benzimidazolyl]-1-(3,3,5-trimethyl-1-azepanyl)ethanone IUPAC Name: 2-[2-(5-nitrothiophen-2-yl)benzimidazol-1-yl]-1-(3,3,5-trimethylazepan-1-yl)ethanone Traditional Name: 2-[2-(5-nitro-2-thienyl)benzimidazol-1-yl]-1-(3,3,5-trimethylazepan-1-yl)ethanone Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C(=O)CN2C3=CC=CC=C3N=C2C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C(=O)CN2C3=CC=CC=C3N=C2C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O3S/c1-15-10-11-24(14-22(2,3)12-15)19(27)13-25-17-7-5-4-6-16(17)23-21(25)18-8-9-20(30-18)26(28)29/h4-9,15H,10-14H2,1-3H3