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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C24H27ClN2O3 MolecularWeight: 426.93578

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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=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C24H27ClN2O3/c1-15-21(22(25)27(26-15)13-16-5-3-2-4-6-16)23(29)30-14-20(28)24-10-17-7-18(11-24)9-19(8-17)12-24/h2-6,17-19H,7-14H2,1H3