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

Systemtic Name: 2-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-N-[3-(4-bromanylpyrazol-1-yl)propyl]ethanamide Openeye Name: 2-[3-(4-bromo-3-nitro-pyrazol-1-yl)-1-adamantyl]-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide CAS Name: 2-[3-(4-bromo-3-nitro-1-pyrazolyl)-1-adamantyl]-N-[3-(4-bromo-1-pyrazolyl)propyl]acetamide IUPAC Name: 2-[3-(4-bromo-3-nitropyrazol-1-yl)-1-adamantyl]-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide Traditional Name: 2-[3-(4-bromo-3-nitro-pyrazol-1-yl)-1-adamantyl]-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide Formula: C21H26Br2N6O3 MolecularWeight: 570.27754

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=C(C(=N4)[N+](=O)[O-])Br)CC(=O)NCCCN5C=C(C=N5)Br

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C=C(C(=N4)[N+](=O)[O-])Br)CC(=O)NCCCN5C=C(C=N5)Br

InChI

InChI=1S/C21H26Br2N6O3/c22-16-10-25-27(11-16)3-1-2-24-18(30)9-20-5-14-4-15(6-20)8-21(7-14,13-20)28-12-17(23)19(26-28)29(31)32/h10-12,14-15H,1-9,13H2,(H,24,30)