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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC(=C(C(=C4)Br)OCC5=CN=CC=C5)OC

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC(=C(C(=C4)Br)OCC5=CN=CC=C5)OC

InChI

InChI=1S/C26H33BrN2O2/c1-17(26-11-19-6-20(12-26)8-21(7-19)13-26)29-15-22-9-23(27)25(24(10-22)30-2)31-16-18-4-3-5-28-14-18/h3-5,9-10,14,17,19-21,29H,6-8,11-13,15-16H2,1-2H3