tert-butyl 4-[5-(dimethoxymethyl)-4-iodanyl-2-(methoxymethyl)pyrazol-3-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-(dimethoxymethyl)-4-iodanyl-2-(methoxymethyl)pyrazol-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-(dimethoxymethyl)-4-iodo-2-(methoxymethyl)pyrazol-3-yl]piperazine-1-carboxylate CAS Name: 4-[5-(dimethoxymethyl)-4-iodo-2-(methoxymethyl)-3-pyrazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(dimethoxymethyl)-4-iodo-2-(methoxymethyl)pyrazol-3-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(dimethoxymethyl)-4-iodo-2-(methoxymethyl)pyrazol-3-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H29IN4O5 MolecularWeight: 496.34043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C(=NN2COC)C(OC)OC)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C(=NN2COC)C(OC)OC)I

InChI

InChI=1S/C17H29IN4O5/c1-17(2,3)27-16(23)21-9-7-20(8-10-21)14-12(18)13(15(25-5)26-6)19-22(14)11-24-4/h15H,7-11H2,1-6H3