N-[(3,4-diethoxyphenyl)methyl]-4-iodanyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-4-iodanyl-1H-pyrazole-5-carboxamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-4-iodo-1H-pyrazole-5-carboxamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-4-iodo-1H-pyrazole-5-carboxamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-4-iodo-1H-pyrazole-5-carboxamide Traditional Name: N-(3,4-diethoxybenzyl)-4-iodo-1H-pyrazole-5-carboxamide Formula: C15H18IN3O3 MolecularWeight: 415.22619

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=C(C=NN2)I)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=C(C=NN2)I)OCC

InChI

InChI=1S/C15H18IN3O3/c1-3-21-12-6-5-10(7-13(12)22-4-2)8-17-15(20)14-11(16)9-18-19-14/h5-7,9H,3-4,8H2,1-2H3,(H,17,20)(H,18,19)