ethyl 4-[[5-(3-iodanylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-(3-iodanylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(3-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-(3-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(3-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-(3-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H19IN4O3 MolecularWeight: 442.25153

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NOC(=N2)C3=CC(=CC=C3)I

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NOC(=N2)C3=CC(=CC=C3)I

InChI

InChI=1S/C16H19IN4O3/c1-2-23-16(22)21-8-6-20(7-9-21)11-14-18-15(24-19-14)12-4-3-5-13(17)10-12/h3-5,10H,2,6-9,11H2,1H3