1-[3-(4-ethyl-3,5-dimethyl-piperazin-1-yl)phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-[3-(4-ethyl-3,5-dimethyl-piperazin-1-yl)phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-[3-(4-ethyl-3,5-dimethyl-piperazin-1-yl)phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-[3-(4-ethyl-3,5-dimethyl-1-piperazinyl)phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[3-(4-ethyl-3,5-dimethylpiperazin-1-yl)phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-[3-(4-ethyl-3,5-dimethyl-piperazino)phenyl]benzimidazole-5-carboxylic acid Formula: C22H26N4O2 MolecularWeight: 378.46744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(CN(CC1C)C2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C(=O)O)C

Isomeric SMILES

CCN1C(CN(CC1C)C2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C(=O)O)C

InChI

InChI=1S/C22H26N4O2/c1-4-25-15(2)12-24(13-16(25)3)18-6-5-7-19(11-18)26-14-23-20-10-17(22(27)28)8-9-21(20)26/h5-11,14-16H,4,12-13H2,1-3H3,(H,27,28)