N-[(3,4-dimethoxyphenyl)methyl]-4-[1-(phenylmethyl)benzimidazol-2-yl]piperazine-1-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[1-(phenylmethyl)benzimidazol-2-yl]piperazine-1-carboxamide Openeye Name: 4-(1-benzylbenzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[1-(phenylmethyl)-2-benzimidazolyl]-1-piperazinecarboxamide IUPAC Name: 4-(1-benzylbenzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide Traditional Name: 4-(1-benzylbenzimidazol-2-yl)-N-veratryl-piperazine-1-carboxamide Formula: C28H31N5O3 MolecularWeight: 485.57744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5)OC

InChI

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