2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C21H28BrNO MolecularWeight: 390.35712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)C

InChI

InChI=1S/C21H28BrNO/c1-3-17-6-4-5-14(2)19(17)23-18(24)12-20-8-15-7-16(9-20)11-21(22,10-15)13-20/h4-6,15-16H,3,7-13H2,1-2H3,(H,23,24)/t15-,16+,20?,21?