(5-aminocarbonyl-1H-imidazol-4-yl) 3-(trifluoromethyl)adamantane-1-carboxylate

Systemtic Name: (5-aminocarbonyl-1H-imidazol-4-yl) 3-(trifluoromethyl)adamantane-1-carboxylate Openeye Name: (5-carbamoyl-1H-imidazol-4-yl) 3-(trifluoromethyl)adamantane-1-carboxylate CAS Name: 3-(trifluoromethyl)-1-adamantanecarboxylic acid (5-carbamoyl-1H-imidazol-4-yl) ester IUPAC Name: (5-carbamoyl-1H-imidazol-4-yl) 3-(trifluoromethyl)adamantane-1-carboxylate Traditional Name: 3-(trifluoromethyl)adamantane-1-carboxylic acid (5-carbamoyl-1H-imidazol-4-yl) ester Formula: C16H18F3N3O3 MolecularWeight: 357.32763

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(F)(F)F)C(=O)OC4=C(NC=N4)C(=O)N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(F)(F)F)C(=O)OC4=C(NC=N4)C(=O)N

InChI

InChI=1S/C16H18F3N3O3/c17-16(18,19)15-4-8-1-9(5-15)3-14(2-8,6-15)13(24)25-12-10(11(20)23)21-7-22-12/h7-9H,1-6H2,(H2,20,23)(H,21,22)