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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-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-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C24H27ClN4O4 MolecularWeight: 470.94858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

InChI

InChI=1S/C24H27ClN4O4/c1-14-20(21(25)29(28-14)18-5-3-2-4-6-18)22(31)33-13-19(30)26-23(32)27-24-10-15-7-16(11-24)9-17(8-15)12-24/h2-6,15-17H,7-13H2,1H3,(H2,26,27,30,32)