N-[3-(4-bromanylpyrazol-1-yl)propyl]-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]ethanamide

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]ethanamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]acetamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-2-[3-(4-nitro-1-pyrazolyl)-1-adamantyl]acetamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]acetamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]acetamide Formula: C21H27BrN6O3 MolecularWeight: 491.38148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN6O3/c22-17-10-24-26(12-17)3-1-2-23-19(29)9-20-5-15-4-16(6-20)8-21(7-15,14-20)27-13-18(11-25-27)28(30)31/h10-13,15-16H,1-9,14H2,(H,23,29)