1-(1-adamantyl)-N-(1-ethyl-5-morpholin-4-ylcarbonyl-pyrazol-4-yl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(1-ethyl-5-morpholin-4-ylcarbonyl-pyrazol-4-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-ethyl-5-[4-morpholinyl(oxo)methyl]-4-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-4-nitro-pyrazole-3-carboxamide Formula: C24H31N7O5 MolecularWeight: 497.54684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C(=O)N6CCOCC6

Isomeric SMILES

CCN1C(=C(C=N1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C(=O)N6CCOCC6

InChI

InChI=1S/C24H31N7O5/c1-2-29-21(23(33)28-3-5-36-6-4-28)18(13-25-29)26-22(32)20-19(31(34)35)14-30(27-20)24-10-15-7-16(11-24)9-17(8-15)12-24/h13-17H,2-12H2,1H3,(H,26,32)