[2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H25ClN2O3 MolecularWeight: 412.9092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

InChI

InChI=1S/C23H25ClN2O3/c1-14-20(21(24)26(25-14)18-5-3-2-4-6-18)22(28)29-13-19(27)23-10-15-7-16(11-23)9-17(8-15)12-23/h2-6,15-17H,7-13H2,1H3