N-[5-methyl-1-(phenylmethyl)pyrazol-3-yl]-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]ethanamide

Systemtic Name: N-[5-methyl-1-(phenylmethyl)pyrazol-3-yl]-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]ethanamide Openeye Name: N-(1-benzyl-5-methyl-pyrazol-3-yl)-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]acetamide CAS Name: N-[5-methyl-1-(phenylmethyl)-3-pyrazolyl]-2-[3-(4-nitro-1-pyrazolyl)-1-adamantyl]acetamide IUPAC Name: N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]acetamide Traditional Name: N-(1-benzyl-5-methyl-pyrazol-3-yl)-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]acetamide Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=CC=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)N6C=C(C=N6)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=CC=CC=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)N6C=C(C=N6)[N+](=O)[O-]

InChI

InChI=1S/C26H30N6O3/c1-18-7-23(29-30(18)15-19-5-3-2-4-6-19)28-24(33)13-25-9-20-8-21(10-25)12-26(11-20,17-25)31-16-22(14-27-31)32(34)35/h2-7,14,16,20-21H,8-13,15,17H2,1H3,(H,28,29,33)