N-(4-ethylphenyl)-4-iodanyl-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-(4-ethylphenyl)-4-iodanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-(4-ethylphenyl)-4-iodo-1-methyl-pyrazole-3-carboxamide CAS Name: N-(4-ethylphenyl)-4-iodo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-(4-ethylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide Traditional Name: N-(4-ethylphenyl)-4-iodo-1-methyl-pyrazole-3-carboxamide Formula: C13H14IN3O MolecularWeight: 355.17423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=NN(C=C2I)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=NN(C=C2I)C

InChI

InChI=1S/C13H14IN3O/c1-3-9-4-6-10(7-5-9)15-13(18)12-11(14)8-17(2)16-12/h4-8H,3H2,1-2H3,(H,15,18)