N-[2-(3-bromanyl-4-methoxy-phenyl)ethyl]-3-(4-chlorophenyl)adamantane-1-carboxamide

Systemtic Name: N-[2-(3-bromanyl-4-methoxy-phenyl)ethyl]-3-(4-chlorophenyl)adamantane-1-carboxamide Openeye Name: N-[2-(3-bromo-4-methoxy-phenyl)ethyl]-3-(4-chlorophenyl)adamantane-1-carboxamide CAS Name: N-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(4-chlorophenyl)-1-adamantanecarboxamide IUPAC Name: N-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(4-chlorophenyl)adamantane-1-carboxamide Traditional Name: N-[2-(3-bromo-4-methoxy-phenyl)ethyl]-3-(4-chlorophenyl)adamantane-1-carboxamide Formula: C26H29BrClNO2 MolecularWeight: 502.87096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)Cl)Br

InChI

InChI=1S/C26H29BrClNO2/c1-31-23-7-2-17(11-22(23)27)8-9-29-24(30)26-14-18-10-19(15-26)13-25(12-18,16-26)20-3-5-21(28)6-4-20/h2-7,11,18-19H,8-10,12-16H2,1H3,(H,29,30)