methyl 5-iodanyl-2-methyl-4-(3-morpholin-4-ylprop-1-ynyl)pyrazole-3-carboxylate

Systemtic Name: methyl 5-iodanyl-2-methyl-4-(3-morpholin-4-ylprop-1-ynyl)pyrazole-3-carboxylate Openeye Name: methyl 5-iodo-2-methyl-4-(3-morpholinoprop-1-ynyl)pyrazole-3-carboxylate CAS Name: 5-iodo-2-methyl-4-[3-(4-morpholinyl)prop-1-ynyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-iodo-2-methyl-4-(3-morpholin-4-ylprop-1-ynyl)pyrazole-3-carboxylate Traditional Name: 5-iodo-2-methyl-4-(3-morpholinoprop-1-ynyl)pyrazole-3-carboxylic acid methyl ester Formula: C13H16IN3O3 MolecularWeight: 389.18891

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)I)C#CCN2CCOCC2)C(=O)OC

Isomeric SMILES

CN1C(=C(C(=N1)I)C#CCN2CCOCC2)C(=O)OC

InChI

InChI=1S/C13H16IN3O3/c1-16-11(13(18)19-2)10(12(14)15-16)4-3-5-17-6-8-20-9-7-17/h5-9H2,1-2H3