N-[2-(3,4-dimethoxyphenyl)ethyl]-4-iodanyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-iodanyl-1H-pyrazole-5-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide Traditional Name: N-homoveratryl-4-iodo-1H-pyrazole-5-carboxamide Formula: C14H16IN3O3 MolecularWeight: 401.19961

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C=NN2)I)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C=NN2)I)OC

InChI

InChI=1S/C14H16IN3O3/c1-20-11-4-3-9(7-12(11)21-2)5-6-16-14(19)13-10(15)8-17-18-13/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H,17,18)