(5S,7R)-3-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[3-(trifluoromethyl)benzyl]adamantane-1-carboxamide Formula: C21H25F3N2O2 MolecularWeight: 394.43061

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)NCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H25F3N2O2/c1-13(27)26-20-9-15-5-16(10-20)8-19(7-15,12-20)18(28)25-11-14-3-2-4-17(6-14)21(22,23)24/h2-4,6,15-16H,5,7-12H2,1H3,(H,25,28)(H,26,27)/t15-,16+,19?,20?