N-[2-(3,4-dimethoxyphenyl)ethyl]-4-iodanyl-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-iodanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-iodo-1-methyl-pyrazole-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-iodo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-iodo-1-methylpyrazole-3-carboxamide Traditional Name: N-homoveratryl-4-iodo-1-methyl-pyrazole-3-carboxamide Formula: C15H18IN3O3 MolecularWeight: 415.22619

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)I

InChI

InChI=1S/C15H18IN3O3/c1-19-9-11(16)14(18-19)15(20)17-7-6-10-4-5-12(21-2)13(8-10)22-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,20)