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

Systemtic Name: 1-(1-adamantyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Formula: C19H21F3N6O3 MolecularWeight: 438.40365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C(F)(F)F)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NN1)C(F)(F)F)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H21F3N6O3/c1-9-14(16(25-24-9)19(20,21)22)23-17(29)15-13(28(30)31)8-27(26-15)18-5-10-2-11(6-18)4-12(3-10)7-18/h8,10-12H,2-7H2,1H3,(H,23,29)(H,24,25)