2-[3-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]ethanamide

Systemtic Name: 2-[3-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]ethanamide Openeye Name: 2-[3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]acetamide CAS Name: 2-[3-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-adamantyl]-N-[1-(2-ethyl-3-pyrazolyl)ethyl]acetamide IUPAC Name: 2-[3-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-adamantyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]acetamide Traditional Name: 2-[3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]acetamide Formula: C23H31ClN6O3 MolecularWeight: 474.98364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C(C)NC(=O)CC23CC4CC(C2)CC(C4)(C3)N5C(=C(C(=N5)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCN1C(=CC=N1)C(C)NC(=O)CC23CC4CC(C2)CC(C4)(C3)N5C(=C(C(=N5)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C23H31ClN6O3/c1-4-28-18(5-6-25-28)14(2)26-19(31)12-22-8-16-7-17(9-22)11-23(10-16,13-22)29-15(3)20(24)21(27-29)30(32)33/h5-6,14,16-17H,4,7-13H2,1-3H3,(H,26,31)