4-azanyl-1-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]-5-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-azanyl-1-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]-5-methyl-pyrazole-3-carboxamide Openeye Name: 4-amino-1-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-5-methyl-pyrazole-3-carboxamide CAS Name: 4-amino-1-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-5-methyl-3-pyrazolecarboxamide IUPAC Name: 4-amino-1-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-5-methylpyrazole-3-carboxamide Traditional Name: 4-amino-1-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-5-methyl-pyrazole-3-carboxamide Formula: C13H13IN4O3 MolecularWeight: 400.17179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC3=C(C=C2I)OCO3)C(=O)N)N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC3=C(C=C2I)OCO3)C(=O)N)N

InChI

InChI=1S/C13H13IN4O3/c1-6-11(15)12(13(16)19)17-18(6)4-7-2-9-10(3-8(7)14)21-5-20-9/h2-3H,4-5,15H2,1H3,(H2,16,19)