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

Systemtic Name: N-(1-adamantylmethyl)-4-bromanyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: N-(1-adamantylmethyl)-4-bromo-2-methyl-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-4-bromo-2-methyl-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)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

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