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

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-2-[3-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]ethanamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-2-[3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]acetamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-2-[3-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-adamantyl]acetamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-2-[3-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-adamantyl]acetamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-2-[3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]acetamide Formula: C22H28BrClN6O3 MolecularWeight: 539.85312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C23CC4CC(C2)CC(C4)(C3)CC(=O)NCCCN5C=C(C=N5)Br)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1C23CC4CC(C2)CC(C4)(C3)CC(=O)NCCCN5C=C(C=N5)Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H28BrClN6O3/c1-14-19(24)20(30(32)33)27-29(14)22-8-15-5-16(9-22)7-21(6-15,13-22)10-18(31)25-3-2-4-28-12-17(23)11-26-28/h11-12,15-16H,2-10,13H2,1H3,(H,25,31)