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

Systemtic Name: (5S,7R)-3-bromanyl-N-[4-(dimethylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-[4-(dimethylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-[4-[dimethylamino(oxo)methyl]phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-[4-(dimethylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-[4-(dimethylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C20H25BrN2O2 MolecularWeight: 405.3287

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H25BrN2O2/c1-23(2)17(24)15-3-5-16(6-4-15)22-18(25)19-8-13-7-14(9-19)11-20(21,10-13)12-19/h3-6,13-14H,7-12H2,1-2H3,(H,22,25)/t13-,14+,19?,20?