2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-(phenylmethyl)benzimidazole

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-(phenylmethyl)benzimidazole Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-benzyl-benzimidazole CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-benzylbenzimidazole Traditional Name: 1-benzyl-2-[(4-piperonylpiperazino)methyl]benzimidazole Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=NC5=CC=CC=C5N4CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=NC5=CC=CC=C5N4CC6=CC=CC=C6

InChI

InChI=1S/C27H28N4O2/c1-2-6-21(7-3-1)18-31-24-9-5-4-8-23(24)28-27(31)19-30-14-12-29(13-15-30)17-22-10-11-25-26(16-22)33-20-32-25/h1-11,16H,12-15,17-20H2