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

Systemtic Name: 4-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide Openeye Name: 4-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide CAS Name: 4-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]-1-ethyl-N-phenyl-3-pyrazolecarboxamide IUPAC Name: 4-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide Traditional Name: 4-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide Formula: C26H29N7O4 MolecularWeight: 503.55296

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H29N7O4/c1-2-31-14-20(22(29-31)24(34)27-19-6-4-3-5-7-19)28-25(35)23-21(33(36)37)15-32(30-23)26-11-16-8-17(12-26)10-18(9-16)13-26/h3-7,14-18H,2,8-13H2,1H3,(H,27,34)(H,28,35)