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

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-(4-chloranyl-2,5-dimethoxy-phenyl)ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide Formula: C20H25BrClNO3 MolecularWeight: 442.7744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)OC)Cl

InChI

InChI=1S/C20H25BrClNO3/c1-25-16-5-15(17(26-2)4-14(16)22)23-18(24)10-19-6-12-3-13(7-19)9-20(21,8-12)11-19/h4-5,12-13H,3,6-11H2,1-2H3,(H,23,24)