2-[[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-1-yl]methyl]-1-[(3,5-dimethoxyphenyl)methyl]benzimidazole

Systemtic Name: 2-[[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-1-yl]methyl]-1-[(3,5-dimethoxyphenyl)methyl]benzimidazole Openeye Name: 2-[[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-1-yl]methyl]-1-[(3,5-dimethoxyphenyl)methyl]benzimidazole CAS Name: 2-[[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-1-yl]methyl]-1-[(3,5-dimethoxyphenyl)methyl]benzimidazole IUPAC Name: 2-[[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-1-yl]methyl]-1-[(3,5-dimethoxyphenyl)methyl]benzimidazole Traditional Name: 2-[[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-1-yl]methyl]-1-(3,5-dimethoxybenzyl)benzimidazole Formula: C30H33ClN4O4 MolecularWeight: 549.06042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C3=CC=CC=C3N=C2CN4CCCN(CC4)CC5=CC6=C(C=C5Cl)OCO6)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C3=CC=CC=C3N=C2CN4CCCN(CC4)CC5=CC6=C(C=C5Cl)OCO6)OC

InChI

InChI=1S/C30H33ClN4O4/c1-36-23-12-21(13-24(15-23)37-2)17-35-27-7-4-3-6-26(27)32-30(35)19-34-9-5-8-33(10-11-34)18-22-14-28-29(16-25(22)31)39-20-38-28/h3-4,6-7,12-16H,5,8-11,17-20H2,1-2H3