methyl 5-(1-adamantyl)-5-methyl-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(1-adamantyl)-5-methyl-pyrazole-3-carboxylate Openeye Name: methyl 5-(1-adamantyl)-5-methyl-pyrazole-3-carboxylate CAS Name: 5-(1-adamantyl)-5-methyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(1-adamantyl)-5-methylpyrazole-3-carboxylate Traditional Name: 5-(1-adamantyl)-5-methyl-pyrazole-3-carboxylic acid methyl ester Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(N=N1)C(=O)OC)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1(C=C(N=N1)C(=O)OC)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C16H22N2O2/c1-15(9-13(17-18-15)14(19)20-2)16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,3-8H2,1-2H3