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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-pyridin-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-pyridin-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2-pyridyl)methyl]-1,4-diazepane Formula: C19H24BrN3O MolecularWeight: 390.31736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC=N2)N3CCCNCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC=N2)N3CCCNCC3

InChI

InChI=1S/C19H24BrN3O/c1-2-24-18-8-7-15(20)14-16(18)19(17-6-3-4-10-22-17)23-12-5-9-21-11-13-23/h3-4,6-8,10,14,19,21H,2,5,9,11-13H2,1H3