N-[[3,5-bis(bromanyl)-2-ethoxy-phenyl]methyl]-1-pyridin-3-yl-ethanamine

Systemtic Name: N-[[3,5-bis(bromanyl)-2-ethoxy-phenyl]methyl]-1-pyridin-3-yl-ethanamine Openeye Name: N-[(3,5-dibromo-2-ethoxy-phenyl)methyl]-1-(3-pyridyl)ethanamine CAS Name: N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-(3-pyridinyl)ethanamine IUPAC Name: N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-pyridin-3-ylethanamine Traditional Name: (3,5-dibromo-2-ethoxy-benzyl)-[1-(3-pyridyl)ethyl]amine Formula: C16H18Br2N2O MolecularWeight: 414.13492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1CNC(C)C2=CN=CC=C2)Br)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1CNC(C)C2=CN=CC=C2)Br)Br

InChI

InChI=1S/C16H18Br2N2O/c1-3-21-16-13(7-14(17)8-15(16)18)10-20-11(2)12-5-4-6-19-9-12/h4-9,11,20H,3,10H2,1-2H3