1-[(5-bromanyl-2-ethoxy-phenyl)-pyridin-3-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-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=CN=CC=C2)N3CCCNCC3

Isomeric SMILES

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

InChI

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