N-[(3,4-dimethoxyphenyl)methyl]-2-(4-iodanylpyrazol-1-yl)ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-iodanylpyrazol-1-yl)ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-iodopyrazol-1-yl)acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-iodo-1-pyrazolyl)acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-iodopyrazol-1-yl)acetamide Traditional Name: 2-(4-iodopyrazol-1-yl)-N-veratryl-acetamide Formula: C14H16IN3O3 MolecularWeight: 401.19961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CN2C=C(C=N2)I)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CN2C=C(C=N2)I)OC

InChI

InChI=1S/C14H16IN3O3/c1-20-12-4-3-10(5-13(12)21-2)6-16-14(19)9-18-8-11(15)7-17-18/h3-5,7-8H,6,9H2,1-2H3,(H,16,19)