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

Systemtic Name: N-(1-adamantyl)-4-bromanyl-N,2-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: N-(1-adamantyl)-4-bromo-N,2-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: N-(1-adamantyl)-4-bromo-N,2-dimethyl-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-4-bromo-N,2-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: N-(1-adamantyl)-4-bromo-N,2-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C17H21BrF3N3O MolecularWeight: 420.26735

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)N(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)N(C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H21BrF3N3O/c1-23(16-6-9-3-10(7-16)5-11(4-9)8-16)15(25)13-12(18)14(17(19,20)21)22-24(13)2/h9-11H,3-8H2,1-2H3