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

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]adamantan-1-amine Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]adamantan-1-amine CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-1-adamantanamine IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]adamantan-1-amine Traditional Name: 1-adamantyl-[3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]amine Formula: C24H29BrN2O2 MolecularWeight: 457.40326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OCC5=CN=CC=C5

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OCC5=CN=CC=C5

InChI

InChI=1S/C24H29BrN2O2/c1-28-22-9-20(8-21(25)23(22)29-15-16-3-2-4-26-13-16)14-27-24-10-17-5-18(11-24)7-19(6-17)12-24/h2-4,8-9,13,17-19,27H,5-7,10-12,14-15H2,1H3