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

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-phenyl-methanamine Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]-1-phenyl-methanamine CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-1-phenylmethanamine IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-phenylmethanamine Traditional Name: benzyl-[3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]amine Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O2/c1-25-20-11-18(14-24-12-16-6-3-2-4-7-16)10-19(22)21(20)26-15-17-8-5-9-23-13-17/h2-11,13,24H,12,14-15H2,1H3