propan-2-yl 4-[[(3R,5S)-3,5-dimethyl-1-adamantyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[[(3R,5S)-3,5-dimethyl-1-adamantyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C22H33N3O3 MolecularWeight: 387.51572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C23CC4CC(C2)(CC(C4)(C3)C)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C23CC4C[C@@](C2)(C[C@](C4)(C3)C)C

InChI

InChI=1S/C22H33N3O3/c1-6-25-10-16(17(24-25)18(26)28-14(2)3)23-19(27)22-9-15-7-20(4,12-22)11-21(5,8-15)13-22/h10,14-15H,6-9,11-13H2,1-5H3,(H,23,27)/t15?,20-,21+,22?