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

Systemtic Name: 1-(1-adamantyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[3-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitro-pyrazole-3-carboxamide Formula: C22H27F3N6O3 MolecularWeight: 480.48339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C(F)(F)F

InChI

InChI=1S/C22H27F3N6O3/c1-13-5-18(22(23,24)25)27-29(13)4-2-3-26-20(32)19-17(31(33)34)12-30(28-19)21-9-14-6-15(10-21)8-16(7-14)11-21/h5,12,14-16H,2-4,6-11H2,1H3,(H,26,32)