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

Systemtic Name: tert-butyl 4-[3-aminocarbonyl-5-ethyl-4-[(5-iodanyl-2-propoxy-pyridin-3-yl)carbonylamino]pyrazol-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-carbamoyl-5-ethyl-4-[(5-iodo-2-propoxy-pyridine-3-carbonyl)amino]pyrazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[3-carbamoyl-5-ethyl-4-[[(5-iodo-2-propoxy-3-pyridinyl)-oxomethyl]amino]-1-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-carbamoyl-5-ethyl-4-[(5-iodo-2-propoxypyridine-3-carbonyl)amino]pyrazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[3-carbamoyl-5-ethyl-4-[(5-iodo-2-propoxy-nicotinoyl)amino]pyrazol-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H35IN6O5 MolecularWeight: 626.48707

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1C(=O)NC2=C(N(N=C2C(=O)N)C3CCN(CC3)C(=O)OC(C)(C)C)CC)I

Isomeric SMILES

CCCOC1=NC=C(C=C1C(=O)NC2=C(N(N=C2C(=O)N)C3CCN(CC3)C(=O)OC(C)(C)C)CC)I

InChI

InChI=1S/C25H35IN6O5/c1-6-12-36-23-17(13-15(26)14-28-23)22(34)29-19-18(7-2)32(30-20(19)21(27)33)16-8-10-31(11-9-16)24(35)37-25(3,4)5/h13-14,16H,6-12H2,1-5H3,(H2,27,33)(H,29,34)