2-(4-ethylphenyl)-4-[4-[2-(3-fluoranyl-4-nitro-phenoxy)ethyl]piperazin-1-yl]-1H-benzimidazole

Systemtic Name: 2-(4-ethylphenyl)-4-[4-[2-(3-fluoranyl-4-nitro-phenoxy)ethyl]piperazin-1-yl]-1H-benzimidazole Openeye Name: 2-(4-ethylphenyl)-4-[4-[2-(3-fluoro-4-nitro-phenoxy)ethyl]piperazin-1-yl]-1H-benzimidazole CAS Name: 2-(4-ethylphenyl)-4-[4-[2-(3-fluoro-4-nitrophenoxy)ethyl]-1-piperazinyl]-1H-benzimidazole IUPAC Name: 2-(4-ethylphenyl)-4-[4-[2-(3-fluoro-4-nitrophenoxy)ethyl]piperazin-1-yl]-1H-benzimidazole Traditional Name: 2-(4-ethylphenyl)-4-[4-[2-(3-fluoro-4-nitro-phenoxy)ethyl]piperazino]-1H-benzimidazole Formula: C27H28FN5O3 MolecularWeight: 489.541323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3N4CCN(CC4)CCOC5=CC(=C(C=C5)[N+](=O)[O-])F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3N4CCN(CC4)CCOC5=CC(=C(C=C5)[N+](=O)[O-])F

InChI

InChI=1S/C27H28FN5O3/c1-2-19-6-8-20(9-7-19)27-29-23-4-3-5-25(26(23)30-27)32-14-12-31(13-15-32)16-17-36-21-10-11-24(33(34)35)22(28)18-21/h3-11,18H,2,12-17H2,1H3,(H,29,30)