(5S,7R)-3-bromanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyladamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-adamantane-1-carboxamide Formula: C20H25BrFNO MolecularWeight: 394.321003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)N(C)C(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrFNO/c1-13(16-3-5-17(22)6-4-16)23(2)18(24)19-8-14-7-15(9-19)11-20(21,10-14)12-19/h3-6,13-15H,7-12H2,1-2H3/t13-,14-,15+,19?,20?/m0/s1