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

Systemtic Name: N-[[3,5-bis(bromanyl)-4-ethoxy-phenyl]methyl]-1-pyridin-2-yl-ethanamine Openeye Name: N-[(3,5-dibromo-4-ethoxy-phenyl)methyl]-1-(2-pyridyl)ethanamine CAS Name: N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(2-pyridinyl)ethanamine IUPAC Name: N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-pyridin-2-ylethanamine Traditional Name: (3,5-dibromo-4-ethoxy-benzyl)-[1-(2-pyridyl)ethyl]amine Formula: C16H18Br2N2O MolecularWeight: 414.13492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)CNC(C)C2=CC=CC=N2)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)CNC(C)C2=CC=CC=N2)Br

InChI

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