ethyl 3-iodanyl-5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxylate

Systemtic Name: ethyl 3-iodanyl-5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxylate Openeye Name: ethyl 3-iodo-5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxylate CAS Name: 3-iodo-5-(3-methyl-1-oxobutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-iodo-5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxylate Traditional Name: 3-iodo-5-isovaleryl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxylic acid ethyl ester Formula: C14H20IN3O3 MolecularWeight: 405.23137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=C(CN(CC2)C(=O)CC(C)C)C(=N1)I

Isomeric SMILES

CCOC(=O)N1C2=C(CN(CC2)C(=O)CC(C)C)C(=N1)I

InChI

InChI=1S/C14H20IN3O3/c1-4-21-14(20)18-11-5-6-17(12(19)7-9(2)3)8-10(11)13(15)16-18/h9H,4-8H2,1-3H3