2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-[4-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-[4-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[4-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[4-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[4-(trifluoromethyl)phenyl]acetamide Formula: C19H21BrF3NO MolecularWeight: 416.27535

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)CC(=O)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H21BrF3NO/c20-18-8-12-5-13(9-18)7-17(6-12,11-18)10-16(25)24-15-3-1-14(2-4-15)19(21,22)23/h1-4,12-13H,5-11H2,(H,24,25)/t12-,13+,17?,18?