N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-fluorophenyl)ethanamine

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-fluorophenyl)ethanamine Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]-2-(4-fluorophenyl)ethanamine CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-2-(4-fluorophenyl)ethanamine IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-fluorophenyl)ethanamine Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-[2-(4-fluorophenyl)ethyl]amine Formula: C22H22BrFN2O2 MolecularWeight: 445.324683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCCC2=CC=C(C=C2)F)Br)OCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCCC2=CC=C(C=C2)F)Br)OCC3=CN=CC=C3

InChI

InChI=1S/C22H22BrFN2O2/c1-27-21-12-18(14-26-10-8-16-4-6-19(24)7-5-16)11-20(23)22(21)28-15-17-3-2-9-25-13-17/h2-7,9,11-13,26H,8,10,14-15H2,1H3