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

Systemtic Name: 1-[1-(5-bromanyl-2-methoxy-phenyl)-2-pyridin-2-yl-ethyl]-1,4-diazepane Openeye Name: 1-[1-(5-bromo-2-methoxy-phenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane CAS Name: 1-[1-(5-bromo-2-methoxyphenyl)-2-(2-pyridinyl)ethyl]-1,4-diazepane IUPAC Name: 1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane Traditional Name: 1-[1-(5-bromo-2-methoxy-phenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane Formula: C19H24BrN3O MolecularWeight: 390.31736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN3O/c1-24-19-7-6-15(20)13-17(19)18(14-16-5-2-3-9-22-16)23-11-4-8-21-10-12-23/h2-3,5-7,9,13,18,21H,4,8,10-12,14H2,1H3