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

Systemtic Name: 2-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)-1-adamantyl]-N-[(4-chloranyl-1-ethyl-pyrazol-3-yl)methyl]ethanamide Openeye Name: 2-[3-(4-bromo-3-nitro-pyrazol-1-yl)-1-adamantyl]-N-[(4-chloro-1-ethyl-pyrazol-3-yl)methyl]acetamide CAS Name: 2-[3-(4-bromo-3-nitro-1-pyrazolyl)-1-adamantyl]-N-[(4-chloro-1-ethyl-3-pyrazolyl)methyl]acetamide IUPAC Name: 2-[3-(4-bromo-3-nitropyrazol-1-yl)-1-adamantyl]-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide Traditional Name: 2-[3-(4-bromo-3-nitro-pyrazol-1-yl)-1-adamantyl]-N-[(4-chloro-1-ethyl-pyrazol-3-yl)methyl]acetamide Formula: C21H26BrClN6O3 MolecularWeight: 525.82654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrClN6O3/c1-2-27-11-16(23)17(25-27)9-24-18(30)8-20-4-13-3-14(5-20)7-21(6-13,12-20)28-10-15(22)19(26-28)29(31)32/h10-11,13-14H,2-9,12H2,1H3,(H,24,30)