3-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]aniline

Systemtic Name: 3-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]aniline Openeye Name: 3-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]aniline CAS Name: 3-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]-1-piperazinyl]ethoxy]aniline IUPAC Name: 3-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]aniline Traditional Name: [3-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazino]ethoxy]phenyl]amine Formula: C27H31N5O MolecularWeight: 441.56794

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=CC(=C5)N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3N4CCN(CC4)CCOC5=CC=CC(=C5)N

InChI

InChI=1S/C27H31N5O/c1-2-20-9-11-21(12-10-20)27-29-24-7-4-8-25(26(24)30-27)32-15-13-31(14-16-32)17-18-33-23-6-3-5-22(28)19-23/h3-12,19H,2,13-18,28H2,1H3,(H,29,30)