[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C23H26FN3O3 MolecularWeight: 411.469243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)OC(C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)OC(C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H26FN3O3/c1-13(20(28)23-10-15-7-16(11-23)9-17(8-15)12-23)30-22(29)21-25-14(2)27(26-21)19-5-3-18(24)4-6-19/h3-6,13,15-17H,7-12H2,1-2H3