ethyl 4-[5-iodanyl-2-(pyridin-3-ylcarbonylamino)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-iodanyl-2-(pyridin-3-ylcarbonylamino)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-iodo-2-(pyridine-3-carbonylamino)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[5-iodo-2-[[oxo(3-pyridinyl)methyl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-iodo-2-(pyridine-3-carbonylamino)benzoyl]piperazine-1-carboxylate Traditional Name: 4-(5-iodo-2-nicotinamido-benzoyl)piperazine-1-carboxylic acid ethyl ester Formula: C20H21IN4O4 MolecularWeight: 508.30961

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)I)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)I)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H21IN4O4/c1-2-29-20(28)25-10-8-24(9-11-25)19(27)16-12-15(21)5-6-17(16)23-18(26)14-4-3-7-22-13-14/h3-7,12-13H,2,8-11H2,1H3,(H,23,26)