N-(2-adamantyl)-4-bromanyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-4-bromanyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-4-bromo-1-methyl-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C16H19BrF3N3O MolecularWeight: 406.24077

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(=O)NC2C3CC4CC(C3)CC2C4)Br)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C(=O)NC2C3CC4CC(C3)CC2C4)Br)C(F)(F)F

InChI

InChI=1S/C16H19BrF3N3O/c1-23-14(16(18,19)20)11(17)13(22-23)15(24)21-12-9-3-7-2-8(5-9)6-10(12)4-7/h7-10,12H,2-6H2,1H3,(H,21,24)