N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(4-fluorophenyl)methanamine Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-(4-fluorobenzyl)amine Formula: C21H20BrFN2O2 MolecularWeight: 431.298103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC2=CC=C(C=C2)F)Br)OCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC2=CC=C(C=C2)F)Br)OCC3=CN=CC=C3

InChI

InChI=1S/C21H20BrFN2O2/c1-26-20-10-17(13-25-11-15-4-6-18(23)7-5-15)9-19(22)21(20)27-14-16-3-2-8-24-12-16/h2-10,12,25H,11,13-14H2,1H3