methyl 5-(1-adamantylmethylcarbamoyl)-1-propan-2-yl-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(1-adamantylmethylcarbamoyl)-1-propan-2-yl-pyrazole-3-carboxylate Openeye Name: methyl 5-(1-adamantylmethylcarbamoyl)-1-isopropyl-pyrazole-3-carboxylate CAS Name: 5-[(1-adamantylmethylamino)-oxomethyl]-1-propan-2-yl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(1-adamantylmethylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylate Traditional Name: 5-(1-adamantylmethylcarbamoyl)-1-isopropyl-pyrazole-3-carboxylic acid methyl ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC(=N1)C(=O)OC)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)N1C(=CC(=N1)C(=O)OC)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H29N3O3/c1-12(2)23-17(7-16(22-23)19(25)26-3)18(24)21-11-20-8-13-4-14(9-20)6-15(5-13)10-20/h7,12-15H,4-6,8-11H2,1-3H3,(H,21,24)