4-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N7O4/c1-2-25-9-14(16(23-25)18(21)28)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,2-8H2,1H3,(H2,21,28)(H,22,29)