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

Systemtic Name: 1-[1-(5-bromanyl-2-ethoxy-phenyl)-2-pyridin-2-yl-ethyl]-1,4-diazepane Openeye Name: 1-[1-(5-bromo-2-ethoxy-phenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane CAS Name: 1-[1-(5-bromo-2-ethoxyphenyl)-2-(2-pyridinyl)ethyl]-1,4-diazepane IUPAC Name: 1-[1-(5-bromo-2-ethoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane Traditional Name: 1-[1-(5-bromo-2-ethoxy-phenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane Formula: C20H26BrN3O MolecularWeight: 404.34394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(CC2=CC=CC=N2)N3CCCNCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(CC2=CC=CC=N2)N3CCCNCC3

InChI

InChI=1S/C20H26BrN3O/c1-2-25-20-8-7-16(21)14-18(20)19(15-17-6-3-4-10-23-17)24-12-5-9-22-11-13-24/h3-4,6-8,10,14,19,22H,2,5,9,11-13,15H2,1H3