ethyl 5-[1-(1-adamantyl)propylcarbamoyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[1-(1-adamantyl)propylcarbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[1-(1-adamantyl)propylcarbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[1-(1-adamantyl)propylamino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[1-(1-adamantyl)propylcarbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[1-(1-adamantyl)propylcarbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C(=C4)C(=O)OCC)C

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C(=C4)C(=O)OCC)C

InChI

InChI=1S/C21H31N3O3/c1-4-18(21-10-13-6-14(11-21)8-15(7-13)12-21)22-19(25)16-9-17(24(3)23-16)20(26)27-5-2/h9,13-15,18H,4-8,10-12H2,1-3H3,(H,22,25)