N-[1-(1-adamantyl)pyrazol-3-yl]-4-bromanyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: N-[1-(1-adamantyl)pyrazol-3-yl]-4-bromanyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)pyrazol-3-yl]-4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)-3-pyrazolyl]-4-bromo-2-methyl-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)pyrazol-3-yl]-4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)pyrazol-3-yl]-4-bromo-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C19H21BrF3N5O MolecularWeight: 472.30215

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)Br)C(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H21BrF3N5O/c1-27-15(14(20)16(26-27)19(21,22)23)17(29)24-13-2-3-28(25-13)18-7-10-4-11(8-18)6-12(5-10)9-18/h2-3,10-12H,4-9H2,1H3,(H,24,25,29)