tert-butyl 4-(3-iodanylphenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-iodanylphenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-iodobenzoyl)piperazine-1-carboxylate CAS Name: 4-[(3-iodophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-iodobenzoyl)piperazine-1-carboxylate Traditional Name: 4-(3-iodobenzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H21IN2O3 MolecularWeight: 416.25401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21IN2O3/c1-16(2,3)22-15(21)19-9-7-18(8-10-19)14(20)12-5-4-6-13(17)11-12/h4-6,11H,7-10H2,1-3H3