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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-chloranyl-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-4-pyrazolecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(2-chlorobenzyl)-3-methyl-pyrazole-4-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C24H26Cl2N2O3 MolecularWeight: 461.38084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)Cl)CC5=CC=CC=C5Cl

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)Cl)CC5=CC=CC=C5Cl

InChI

InChI=1S/C24H26Cl2N2O3/c1-14-21(22(26)28(27-14)12-18-4-2-3-5-19(18)25)23(30)31-13-20(29)24-9-15-6-16(10-24)8-17(7-15)11-24/h2-5,15-17H,6-13H2,1H3