N-(1-adamantyl)-4-iodanyl-N,1-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantyl)-4-iodanyl-N,1-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(1-adamantyl)-4-iodo-N,1-dimethyl-pyrazole-3-carboxamide CAS Name: N-(1-adamantyl)-4-iodo-N,1-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-4-iodo-N,1-dimethylpyrazole-3-carboxamide Traditional Name: N-(1-adamantyl)-4-iodo-N,1-dimethyl-pyrazole-3-carboxamide Formula: C16H22IN3O MolecularWeight: 399.26985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N(C)C23CC4CC(C2)CC(C4)C3)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N(C)C23CC4CC(C2)CC(C4)C3)I

InChI

InChI=1S/C16H22IN3O/c1-19-9-13(17)14(18-19)15(21)20(2)16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,3-8H2,1-2H3