5-(1-adamantylmethylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(1-adamantylmethylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-(1-adamantylmethylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(1-adamantylmethylamino)-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(1-adamantylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-(1-adamantylmethylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H23N3O3/c1-20-14(13(8-19-20)16(22)23)15(21)18-9-17-5-10-2-11(6-17)4-12(3-10)7-17/h8,10-12H,2-7,9H2,1H3,(H,18,21)(H,22,23)