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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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