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

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]heptan-1-amine Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]heptan-1-amine CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-1-heptanamine IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]heptan-1-amine Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-heptyl-amine Formula: C21H29BrN2O2 MolecularWeight: 421.37116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CN=CC=C2)OC

Isomeric SMILES

CCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CN=CC=C2)OC

InChI

InChI=1S/C21H29BrN2O2/c1-3-4-5-6-7-10-23-15-18-12-19(22)21(20(13-18)25-2)26-16-17-9-8-11-24-14-17/h8-9,11-14,23H,3-7,10,15-16H2,1-2H3