N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-iodanyl-benzamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-iodanyl-benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-iodo-benzamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-iodobenzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-iodobenzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-iodo-benzamide Formula: C20H20IN3O MolecularWeight: 445.29677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC=CC=C3I

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C20H20IN3O/c1-14-18(12-22-20(25)17-10-6-7-11-19(17)21)15(2)24(23-14)13-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)