N-[[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-yl-methanamine

Systemtic Name: N-[[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-yl-methanamine Openeye Name: N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(3-pyridyl)methanamine CAS Name: N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(3-pyridinyl)methanamine IUPAC Name: N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine Traditional Name: [3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-(3-pyridylmethyl)amine Formula: C22H22BrFN2O2 MolecularWeight: 445.324683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNCC2=CN=CC=C2)Br)OCC3=CC=CC=C3F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNCC2=CN=CC=C2)Br)OCC3=CC=CC=C3F

InChI

InChI=1S/C22H22BrFN2O2/c1-2-27-21-11-17(14-26-13-16-6-5-9-25-12-16)10-19(23)22(21)28-15-18-7-3-4-8-20(18)24/h3-12,26H,2,13-15H2,1H3