2-(2-azanylethyl)-N-[(3-iodanylphenyl)methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: 2-(2-azanylethyl)-N-[(3-iodanylphenyl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: 2-(2-aminoethyl)-N-[(3-iodophenyl)methyl]oxazole-4-carboxamide CAS Name: 2-(2-aminoethyl)-N-[(3-iodophenyl)methyl]-4-oxazolecarboxamide IUPAC Name: 2-(2-aminoethyl)-N-[(3-iodophenyl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: 2-(2-aminoethyl)-N-(3-iodobenzyl)oxazole-4-carboxamide Formula: C13H14IN3O2 MolecularWeight: 371.17363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)CNC(=O)C2=COC(=N2)CCN

Isomeric SMILES

C1=CC(=CC(=C1)I)CNC(=O)C2=COC(=N2)CCN

InChI

InChI=1S/C13H14IN3O2/c14-10-3-1-2-9(6-10)7-16-13(18)11-8-19-12(17-11)4-5-15/h1-3,6,8H,4-5,7,15H2,(H,16,18)