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

Systemtic Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanamide Openeye Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[(5S,7R)-3-bromo-1-adamantyl]acetamide CAS Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[(5S,7R)-3-bromo-1-adamantyl]acetamide IUPAC Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[(5S,7R)-3-bromo-1-adamantyl]acetamide Traditional Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[(5S,7R)-3-bromo-1-adamantyl]acetamide Formula: C21H24BrF3N2O2 MolecularWeight: 473.32667

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)C(F)(F)F

InChI

InChI=1S/C21H24BrF3N2O2/c1-12(28)26-15-2-3-17(16(5-15)21(23,24)25)27-18(29)10-19-6-13-4-14(7-19)9-20(22,8-13)11-19/h2-3,5,13-14H,4,6-11H2,1H3,(H,26,28)(H,27,29)/t13-,14+,19?,20?