N-[(3,4-diethoxyphenyl)methyl]-3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanamide

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-3-(4-iodo-5-methyl-pyrazol-1-yl)propanamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-3-(4-iodo-5-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide Traditional Name: N-(3,4-diethoxybenzyl)-3-(4-iodo-5-methyl-pyrazol-1-yl)propionamide Formula: C18H24IN3O3 MolecularWeight: 457.30593

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)CCN2C(=C(C=N2)I)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)CCN2C(=C(C=N2)I)C)OCC

InChI

InChI=1S/C18H24IN3O3/c1-4-24-16-7-6-14(10-17(16)25-5-2)11-20-18(23)8-9-22-13(3)15(19)12-21-22/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,23)