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

Systemtic Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanamide Openeye Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-(4-iodo-5-methyl-pyrazol-1-yl)propanamide CAS Name: N-[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]-3-(4-iodo-5-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide Traditional Name: N-[1-(3,4-diethoxybenzyl)pyrazol-4-yl]-3-(4-iodo-5-methyl-pyrazol-1-yl)propionamide Formula: C21H26IN5O3 MolecularWeight: 523.36731

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)CCN3C(=C(C=N3)I)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)CCN3C(=C(C=N3)I)C)OCC

InChI

InChI=1S/C21H26IN5O3/c1-4-29-19-7-6-16(10-20(19)30-5-2)13-26-14-17(11-23-26)25-21(28)8-9-27-15(3)18(22)12-24-27/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3,(H,25,28)