1-(1-adamantyl)-N-(4-cyano-2-methyl-pyrazol-3-yl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(4-cyano-2-methyl-pyrazol-3-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(4-cyano-2-methyl-pyrazol-3-yl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(4-cyano-2-methyl-3-pyrazolyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(4-cyano-2-methylpyrazol-3-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(4-cyano-2-methyl-pyrazol-3-yl)-4-nitro-pyrazole-3-carboxamide Formula: C19H21N7O3 MolecularWeight: 395.41514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C#N)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=C(C=N1)C#N)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H21N7O3/c1-24-17(14(8-20)9-21-24)22-18(27)16-15(26(28)29)10-25(23-16)19-5-11-2-12(6-19)4-13(3-11)7-19/h9-13H,2-7H2,1H3,(H,22,27)