1-(1-adamantyl)-N-[5-(dimethylcarbamoyl)-1-ethyl-pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[5-(dimethylcarbamoyl)-1-ethyl-pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[5-(dimethylcarbamoyl)-1-ethyl-pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[5-[dimethylamino(oxo)methyl]-1-ethyl-4-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[5-(dimethylcarbamoyl)-1-ethyl-pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Formula: C22H29N7O4 MolecularWeight: 455.51016

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C(=O)N(C)C

Isomeric SMILES

CCN1C(=C(C=N1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C(=O)N(C)C

InChI

InChI=1S/C22H29N7O4/c1-4-27-19(21(31)26(2)3)16(11-23-27)24-20(30)18-17(29(32)33)12-28(25-18)22-8-13-5-14(9-22)7-15(6-13)10-22/h11-15H,4-10H2,1-3H3,(H,24,30)