tert-butyl N-[2-(4-iodanyl-2-phenylmethoxy-pyrazol-3-yl)phenyl]carbamate

Systemtic Name: tert-butyl N-[2-(4-iodanyl-2-phenylmethoxy-pyrazol-3-yl)phenyl]carbamate Openeye Name: tert-butyl N-[2-(2-benzyloxy-4-iodo-pyrazol-3-yl)phenyl]carbamate CAS Name: N-[2-(4-iodo-2-phenylmethoxy-3-pyrazolyl)phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(4-iodo-2-phenylmethoxypyrazol-3-yl)phenyl]carbamate Traditional Name: N-[2-(2-benzoxy-4-iodo-pyrazol-3-yl)phenyl]carbamic acid tert-butyl ester Formula: C21H22IN3O3 MolecularWeight: 491.32215

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC=C1C2=C(C=NN2OCC3=CC=CC=C3)I

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1C2=C(C=NN2OCC3=CC=CC=C3)I

InChI

InChI=1S/C21H22IN3O3/c1-21(2,3)28-20(26)24-18-12-8-7-11-16(18)19-17(22)13-23-25(19)27-14-15-9-5-4-6-10-15/h4-13H,14H2,1-3H3,(H,24,26)