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

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-phenyl-ethanamine Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]-1-phenyl-ethanamine CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-1-phenylethanamine IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-phenylethanamine Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-(1-phenylethyl)amine Formula: C22H23BrN2O2 MolecularWeight: 427.33422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCC2=CC(=C(C(=C2)Br)OCC3=CN=CC=C3)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NCC2=CC(=C(C(=C2)Br)OCC3=CN=CC=C3)OC

InChI

InChI=1S/C22H23BrN2O2/c1-16(19-8-4-3-5-9-19)25-14-18-11-20(23)22(21(12-18)26-2)27-15-17-7-6-10-24-13-17/h3-13,16,25H,14-15H2,1-2H3