N-(2,4-dimethoxyphenyl)-4-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperazine-1-carboxamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-4-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperazine-1-carboxamide Openeye Name: 4-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide CAS Name: N-(2,4-dimethoxyphenyl)-4-[[1-(phenylmethyl)-2-benzimidazolyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide Formula: C28H31N5O3 MolecularWeight: 485.57744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3CC5=CC=CC=C5)OC

InChI

InChI=1S/C28H31N5O3/c1-35-22-12-13-24(26(18-22)36-2)30-28(34)32-16-14-31(15-17-32)20-27-29-23-10-6-7-11-25(23)33(27)19-21-8-4-3-5-9-21/h3-13,18H,14-17,19-20H2,1-2H3,(H,30,34)