tert-butyl 3-[3-aminocarbonyl-5-ethyl-4-[(5-iodanyl-2-propoxy-pyridin-3-yl)carbonylamino]pyrazol-1-yl]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[3-aminocarbonyl-5-ethyl-4-[(5-iodanyl-2-propoxy-pyridin-3-yl)carbonylamino]pyrazol-1-yl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[3-carbamoyl-5-ethyl-4-[(5-iodo-2-propoxy-pyridine-3-carbonyl)amino]pyrazol-1-yl]azetidine-1-carboxylate CAS Name: 3-[3-carbamoyl-5-ethyl-4-[[(5-iodo-2-propoxy-3-pyridinyl)-oxomethyl]amino]-1-pyrazolyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-carbamoyl-5-ethyl-4-[(5-iodo-2-propoxypyridine-3-carbonyl)amino]pyrazol-1-yl]azetidine-1-carboxylate Traditional Name: 3-[3-carbamoyl-5-ethyl-4-[(5-iodo-2-propoxy-nicotinoyl)amino]pyrazol-1-yl]azetidine-1-carboxylic acid tert-butyl ester Formula: C23H31IN6O5 MolecularWeight: 598.43391

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1C(=O)NC2=C(N(N=C2C(=O)N)C3CN(C3)C(=O)OC(C)(C)C)CC)I

Isomeric SMILES

CCCOC1=NC=C(C=C1C(=O)NC2=C(N(N=C2C(=O)N)C3CN(C3)C(=O)OC(C)(C)C)CC)I

InChI

InChI=1S/C23H31IN6O5/c1-6-8-34-21-15(9-13(24)10-26-21)20(32)27-17-16(7-2)30(28-18(17)19(25)31)14-11-29(12-14)22(33)35-23(3,4)5/h9-10,14H,6-8,11-12H2,1-5H3,(H2,25,31)(H,27,32)