N-[1-[(3-iodanylphenyl)methyl]pyrazol-4-yl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[1-[(3-iodanylphenyl)methyl]pyrazol-4-yl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[1-[(3-iodophenyl)methyl]pyrazol-4-yl]-3,4,5-trimethoxy-benzamide CAS Name: N-[1-[(3-iodophenyl)methyl]-4-pyrazolyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[1-[(3-iodophenyl)methyl]pyrazol-4-yl]-3,4,5-trimethoxybenzamide Traditional Name: N-[1-(3-iodobenzyl)pyrazol-4-yl]-3,4,5-trimethoxy-benzamide Formula: C20H20IN3O4 MolecularWeight: 493.29497

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CN(N=C2)CC3=CC(=CC=C3)I

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CN(N=C2)CC3=CC(=CC=C3)I

InChI

InChI=1S/C20H20IN3O4/c1-26-17-8-14(9-18(27-2)19(17)28-3)20(25)23-16-10-22-24(12-16)11-13-5-4-6-15(21)7-13/h4-10,12H,11H2,1-3H3,(H,23,25)