[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=N2)C(=O)OC(C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=N2)C(=O)OC(C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27N3O3/c1-14-19(13-25-26(14)20-5-3-4-6-24-20)22(28)29-15(2)21(27)23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,13,15-18H,7-12H2,1-2H3