1-[1-(2-bromanyl-4,5-dimethoxy-phenyl)-2-pyridin-2-yl-ethyl]-1,4-diazepane

Systemtic Name: 1-[1-(2-bromanyl-4,5-dimethoxy-phenyl)-2-pyridin-2-yl-ethyl]-1,4-diazepane Openeye Name: 1-[1-(2-bromo-4,5-dimethoxy-phenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane CAS Name: 1-[1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-pyridinyl)ethyl]-1,4-diazepane IUPAC Name: 1-[1-(2-bromo-4,5-dimethoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane Traditional Name: 1-[1-(2-bromo-4,5-dimethoxy-phenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane Formula: C20H26BrN3O2 MolecularWeight: 420.34334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(CC2=CC=CC=N2)N3CCCNCC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(CC2=CC=CC=N2)N3CCCNCC3)Br)OC

InChI

InChI=1S/C20H26BrN3O2/c1-25-19-13-16(17(21)14-20(19)26-2)18(12-15-6-3-4-8-23-15)24-10-5-7-22-9-11-24/h3-4,6,8,13-14,18,22H,5,7,9-12H2,1-2H3