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

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-iodanyl-benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-iodo-benzamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-iodobenzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-iodobenzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-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=C(C=C3)I

Isomeric SMILES

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

InChI

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