4-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-N,1-dimethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-N,1-dimethyl-pyrazole-3-carboxamide Openeye Name: 4-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-N,1-dimethyl-pyrazole-3-carboxamide CAS Name: 4-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]-N,1-dimethyl-3-pyrazolecarboxamide IUPAC Name: 4-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide Traditional Name: 4-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-N,1-dimethyl-pyrazole-3-carboxamide Formula: C20H25N7O4 MolecularWeight: 427.457

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C=C1NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CNC(=O)C1=NN(C=C1NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C20H25N7O4/c1-21-18(28)16-14(9-25(2)23-16)22-19(29)17-15(27(30)31)10-26(24-17)20-6-11-3-12(7-20)5-13(4-11)8-20/h9-13H,3-8H2,1-2H3,(H,21,28)(H,22,29)