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

Systemtic Name: N-(4-methylphenyl)-4-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperazine-1-carboxamide Openeye Name: 4-[(1-benzylbenzimidazol-2-yl)methyl]-N-(p-tolyl)piperazine-1-carboxamide CAS Name: N-(4-methylphenyl)-4-[[1-(phenylmethyl)-2-benzimidazolyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-[(1-benzylbenzimidazol-2-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[(1-benzylbenzimidazol-2-yl)methyl]-N-(p-tolyl)piperazine-1-carboxamide Formula: C27H29N5O MolecularWeight: 439.55206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O/c1-21-11-13-23(14-12-21)28-27(33)31-17-15-30(16-18-31)20-26-29-24-9-5-6-10-25(24)32(26)19-22-7-3-2-4-8-22/h2-14H,15-20H2,1H3,(H,28,33)