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

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-3,5-dimethyl-adamantan-1-amine Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-3,5-dimethyl-1-adamantanamine IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-3,5-dimethyladamantan-1-amine Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-(3,5-dimethyl-1-adamantyl)amine Formula: C26H33BrN2O2 MolecularWeight: 485.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC(=C(C(=C4)Br)OCC5=CN=CC=C5)OC)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC(=C(C(=C4)Br)OCC5=CN=CC=C5)OC)C

InChI

InChI=1S/C26H33BrN2O2/c1-24-9-20-10-25(2,15-24)17-26(11-20,16-24)29-13-19-7-21(27)23(22(8-19)30-3)31-14-18-5-4-6-28-12-18/h4-8,12,20,29H,9-11,13-17H2,1-3H3