propan-2-yl 4-[2-(1-adamantyl)ethanoylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[2-(1-adamantyl)ethanoylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[2-(1-adamantyl)-1-oxoethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(1-adamantyl)acetyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31N3O3/c1-4-24-12-17(19(23-24)20(26)27-13(2)3)22-18(25)11-21-8-14-5-15(9-21)7-16(6-14)10-21/h12-16H,4-11H2,1-3H3,(H,22,25)