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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]methyl]-1-(phenylmethyl)benzimidazole Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]methyl]-1-benzyl-benzimidazole CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]methyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]methyl]-1-benzylbenzimidazole Traditional Name: 1-benzyl-2-[(4-piperonyl-1,4-diazepan-1-yl)methyl]benzimidazole Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H30N4O2/c1-2-7-22(8-3-1)19-32-25-10-5-4-9-24(25)29-28(32)20-31-14-6-13-30(15-16-31)18-23-11-12-26-27(17-23)34-21-33-26/h1-5,7-12,17H,6,13-16,18-21H2