propan-2-yl 4-[2-[3-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]ethanoylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[2-[3-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]ethanoylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[2-[3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]acetyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[2-[3-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-adamantyl]-1-oxoethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[3-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-adamantyl]acetyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[2-[3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]acetyl]amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C25H33ClN6O5 MolecularWeight: 533.01972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33ClN6O5/c1-5-30-12-18(21(28-30)23(34)37-14(2)3)27-19(33)11-24-7-16-6-17(8-24)10-25(9-16,13-24)31-15(4)20(26)22(29-31)32(35)36/h12,14,16-17H,5-11,13H2,1-4H3,(H,27,33)