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

Systemtic Name: 4-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-1-ethyl-N-methyl-pyrazole-3-carboxamide Openeye Name: 4-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-1-ethyl-N-methyl-pyrazole-3-carboxamide CAS Name: 4-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]-1-ethyl-N-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide Traditional Name: 4-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-1-ethyl-N-methyl-pyrazole-3-carboxamide Formula: C21H27N7O4 MolecularWeight: 441.48358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7O4/c1-3-26-10-15(17(24-26)19(29)22-2)23-20(30)18-16(28(31)32)11-27(25-18)21-7-12-4-13(8-21)6-14(5-12)9-21/h10-14H,3-9H2,1-2H3,(H,22,29)(H,23,30)