[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate

Systemtic Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [2-keto-2-(4-piperonylpiperazino)ethyl] ester Formula: C28H26N4O5 MolecularWeight: 498.52984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=CC=C6

InChI

InChI=1S/C28H26N4O5/c33-26(32-12-10-31(11-13-32)16-19-6-9-24-25(14-19)37-18-36-24)17-35-28(34)21-7-8-22-23(15-21)30-27(29-22)20-4-2-1-3-5-20/h1-9,14-15H,10-13,16-18H2,(H,29,30)