N-[2-(4,4-dimethylpentan-2-yl)phenyl]-3-iodanyl-1-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(4,4-dimethylpentan-2-yl)phenyl]-3-iodanyl-1-methyl-pyrazole-4-carboxamide Openeye Name: 3-iodo-1-methyl-N-[2-(1,3,3-trimethylbutyl)phenyl]pyrazole-4-carboxamide CAS Name: N-[2-(4,4-dimethylpentan-2-yl)phenyl]-3-iodo-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(4,4-dimethylpentan-2-yl)phenyl]-3-iodo-1-methylpyrazole-4-carboxamide Traditional Name: 3-iodo-1-methyl-N-[2-(1,3,3-trimethylbutyl)phenyl]pyrazole-4-carboxamide Formula: C18H24IN3O MolecularWeight: 425.30713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)C)C1=CC=CC=C1NC(=O)C2=CN(N=C2I)C

Isomeric SMILES

CC(CC(C)(C)C)C1=CC=CC=C1NC(=O)C2=CN(N=C2I)C

InChI

InChI=1S/C18H24IN3O/c1-12(10-18(2,3)4)13-8-6-7-9-15(13)20-17(23)14-11-22(5)21-16(14)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)