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

Systemtic Name: ethyl 4-[[5-(2-fluoranyl-5-iodanyl-phenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(2-fluoro-5-iodo-phenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-(2-fluoro-5-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(2-fluoro-5-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-(2-fluoro-5-iodo-phenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H18FIN4O3 MolecularWeight: 460.241993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FIN4O3/c1-2-24-16(23)22-7-5-21(6-8-22)10-14-19-15(25-20-14)12-9-11(18)3-4-13(12)17/h3-4,9H,2,5-8,10H2,1H3