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

Systemtic Name: N-[(4-chloranyl-1-ethyl-pyrazol-3-yl)methyl]-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]ethanamide Openeye Name: N-[(4-chloro-1-ethyl-pyrazol-3-yl)methyl]-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]acetamide CAS Name: N-[(4-chloro-1-ethyl-3-pyrazolyl)methyl]-2-[3-(4-nitro-1-pyrazolyl)-1-adamantyl]acetamide IUPAC Name: N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]acetamide Traditional Name: N-[(4-chloro-1-ethyl-pyrazol-3-yl)methyl]-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]acetamide Formula: C21H27ClN6O3 MolecularWeight: 446.93048

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN6O3/c1-2-26-12-17(22)18(25-26)10-23-19(29)8-20-4-14-3-15(5-20)7-21(6-14,13-20)27-11-16(9-24-27)28(30)31/h9,11-12,14-15H,2-8,10,13H2,1H3,(H,23,29)