2-(3-bromanyl-1-adamantyl)-N-(4,5-dimethoxy-2-methyl-phenyl)ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-(4,5-dimethoxy-2-methyl-phenyl)ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-(4,5-dimethoxy-2-methyl-phenyl)acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-(4,5-dimethoxy-2-methylphenyl)acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-(4,5-dimethoxy-2-methylphenyl)acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-(4,5-dimethoxy-2-methyl-phenyl)acetamide Formula: C21H28BrNO3 MolecularWeight: 422.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)OC)OC

InChI

InChI=1S/C21H28BrNO3/c1-13-4-17(25-2)18(26-3)6-16(13)23-19(24)11-20-7-14-5-15(8-20)10-21(22,9-14)12-20/h4,6,14-15H,5,7-12H2,1-3H3,(H,23,24)