N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-chloranyl-adamantane-1-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-chloranyl-adamantane-1-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-chloro-adamantane-1-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-chloro-1-adamantanecarboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-chloroadamantane-1-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-chloro-adamantane-1-carboxamide Formula: C21H27BrClNO3 MolecularWeight: 456.80098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)Br)OC

InChI

InChI=1S/C21H27BrClNO3/c1-26-17-6-15(16(22)7-18(17)27-2)3-4-24-19(25)20-8-13-5-14(9-20)11-21(23,10-13)12-20/h6-7,13-14H,3-5,8-12H2,1-2H3,(H,24,25)