(5S,7R)-N-[4-bromanyl-3-(trifluoromethyl)phenyl]-3-oxidanyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-[4-bromanyl-3-(trifluoromethyl)phenyl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-hydroxy-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-hydroxy-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-hydroxyadamantane-1-carboxamide Traditional Name: (5S,7R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-hydroxy-adamantane-1-carboxamide Formula: C18H19BrF3NO2 MolecularWeight: 418.24817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrF3NO2/c19-14-2-1-12(4-13(14)18(20,21)22)23-15(24)16-5-10-3-11(6-16)8-17(25,7-10)9-16/h1-2,4,10-11,25H,3,5-9H2,(H,23,24)/t10-,11+,16?,17?