5-(2-adamantylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(2-adamantylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-(2-adamantylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(2-adamantylamino)-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(2-adamantylcarbamoyl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-(2-adamantylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C16H21N3O3/c1-19-14(12(7-17-19)16(21)22)15(20)18-13-10-3-8-2-9(5-10)6-11(13)4-8/h7-11,13H,2-6H2,1H3,(H,18,20)(H,21,22)