N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-4-iodanyl-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-4-iodanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-4-iodo-1-methyl-pyrazole-3-carboxamide CAS Name: N-[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]-4-iodo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-4-iodo-1-methylpyrazole-3-carboxamide Traditional Name: N-[1-(3,4-diethoxybenzyl)pyrazol-4-yl]-4-iodo-1-methyl-pyrazole-3-carboxamide Formula: C19H22IN5O3 MolecularWeight: 495.31415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C3=NN(C=C3I)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C3=NN(C=C3I)C)OCC

InChI

InChI=1S/C19H22IN5O3/c1-4-27-16-7-6-13(8-17(16)28-5-2)10-25-11-14(9-21-25)22-19(26)18-15(20)12-24(3)23-18/h6-9,11-12H,4-5,10H2,1-3H3,(H,22,26)