tert-butyl 4-(4-fluoranyl-2-iodanyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-fluoranyl-2-iodanyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-fluoro-2-iodo-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(4-fluoro-2-iodophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-fluoro-2-iodobenzoyl)piperazine-1-carboxylate Traditional Name: 4-(4-fluoro-2-iodo-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H20FIN2O3 MolecularWeight: 434.244473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20FIN2O3/c1-16(2,3)23-15(22)20-8-6-19(7-9-20)14(21)12-5-4-11(17)10-13(12)18/h4-5,10H,6-9H2,1-3H3