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

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]butan-1-amine Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]butan-1-amine CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-1-butanamine IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]butan-1-amine Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-butyl-amine Formula: C18H23BrN2O2 MolecularWeight: 379.29142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC(=C(C(=C1)Br)OCC2=CN=CC=C2)OC

Isomeric SMILES

CCCCNCC1=CC(=C(C(=C1)Br)OCC2=CN=CC=C2)OC

InChI

InChI=1S/C18H23BrN2O2/c1-3-4-7-20-12-15-9-16(19)18(17(10-15)22-2)23-13-14-6-5-8-21-11-14/h5-6,8-11,20H,3-4,7,12-13H2,1-2H3