N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]adamantan-2-amine

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]adamantan-2-amine Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]adamantan-2-amine CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-2-adamantanamine IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]adamantan-2-amine Traditional Name: 2-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)CNC2C3CC4CC(C3)CC2C4)Br)OCC5=CN=CC=C5

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Br)OCC5=CN=CC=C5

InChI

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