N-[1-(1-adamantyl)propyl]-4-bromanyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-4-bromanyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-4-bromo-1-methyl-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C19H25BrF3N3O MolecularWeight: 448.32051

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C(=C4Br)C(F)(F)F)C

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C(=C4Br)C(F)(F)F)C

InChI

InChI=1S/C19H25BrF3N3O/c1-3-13(18-7-10-4-11(8-18)6-12(5-10)9-18)24-17(27)15-14(20)16(19(21,22)23)26(2)25-15/h10-13H,3-9H2,1-2H3,(H,24,27)