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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole Traditional Name: 1-(2,4-dichlorobenzyl)-2-[(4-piperonyl-1,4-diazepan-1-yl)methyl]benzimidazole Formula: C28H28Cl2N4O2 MolecularWeight: 523.45352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28Cl2N4O2/c29-22-8-7-21(23(30)15-22)17-34-25-5-2-1-4-24(25)31-28(34)18-33-11-3-10-32(12-13-33)16-20-6-9-26-27(14-20)36-19-35-26/h1-2,4-9,14-15H,3,10-13,16-19H2