1-[(5-bromanyl-2-ethoxy-phenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=NC=C(C=C2)C)N3CCCNCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=NC=C(C=C2)C)N3CCCNCC3

InChI

InChI=1S/C20H26BrN3O/c1-3-25-19-8-6-16(21)13-17(19)20(18-7-5-15(2)14-23-18)24-11-4-9-22-10-12-24/h5-8,13-14,20,22H,3-4,9-12H2,1-2H3