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

Systemtic Name: 2-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]ethanamide Openeye Name: 2-[3-(4-bromo-3-nitro-pyrazol-1-yl)-1-adamantyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]acetamide CAS Name: 2-[3-(4-bromo-3-nitro-1-pyrazolyl)-1-adamantyl]-N-[1-(2-ethyl-3-pyrazolyl)ethyl]acetamide IUPAC Name: 2-[3-(4-bromo-3-nitropyrazol-1-yl)-1-adamantyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]acetamide Traditional Name: 2-[3-(4-bromo-3-nitro-pyrazol-1-yl)-1-adamantyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]acetamide Formula: C22H29BrN6O3 MolecularWeight: 505.40806

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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-])Br

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN6O3/c1-3-27-18(4-5-24-27)14(2)25-19(30)11-21-7-15-6-16(8-21)10-22(9-15,13-21)28-12-17(23)20(26-28)29(31)32/h4-5,12,14-16H,3,6-11,13H2,1-2H3,(H,25,30)