1-[1-benzothiophen-2-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-2-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-2-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]-1,4-diazepane Formula: C22H25BrN2O2S MolecularWeight: 461.4151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4)Br)OC

InChI

InChI=1S/C22H25BrN2O2S/c1-26-18-13-16(17(23)14-19(18)27-2)22(25-10-5-8-24-9-11-25)21-12-15-6-3-4-7-20(15)28-21/h3-4,6-7,12-14,22,24H,5,8-11H2,1-2H3