tert-butyl 4-[6-iodanyl-5-(methoxymethoxy)pyridin-3-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[6-iodanyl-5-(methoxymethoxy)pyridin-3-yl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[6-iodo-5-(methoxymethoxy)-3-pyridyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[6-iodo-5-(methoxymethoxy)-3-pyridinyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-iodo-5-(methoxymethoxy)pyridin-3-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[6-iodo-5-(methoxymethoxy)-3-pyridyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H26IN3O4 MolecularWeight: 463.31051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=C(N=C2)I)OCOC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=C(N=C2)I)OCOC

InChI

InChI=1S/C17H26IN3O4/c1-17(2,3)25-16(22)21-7-5-6-20(8-9-21)13-10-14(24-12-23-4)15(18)19-11-13/h10-11H,5-9,12H2,1-4H3