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

Systemtic Name: 2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]methyl]-1H-benzimidazole CAS Name: 2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]methyl]-1H-benzimidazole IUPAC Name: 2-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[3-(4-piperonylpiperazino)piperidino]methyl]-1H-benzimidazole Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=NC3=CC=CC=C3N2)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC(CN(C1)CC2=NC3=CC=CC=C3N2)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H31N5O2/c1-2-6-22-21(5-1)26-25(27-22)17-29-9-3-4-20(16-29)30-12-10-28(11-13-30)15-19-7-8-23-24(14-19)32-18-31-23/h1-2,5-8,14,20H,3-4,9-13,15-18H2,(H,26,27)