N-(3-iodanyl-4-methyl-phenyl)-1-methyl-pyrazole-4-carboxamide

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-1-methyl-pyrazole-4-carboxamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-1-methyl-pyrazole-4-carboxamide CAS Name: N-(3-iodo-4-methylphenyl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-(3-iodo-4-methylphenyl)-1-methylpyrazole-4-carboxamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-1-methyl-pyrazole-4-carboxamide Formula: C12H12IN3O MolecularWeight: 341.14765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2)C)I

InChI

InChI=1S/C12H12IN3O/c1-8-3-4-10(5-11(8)13)15-12(17)9-6-14-16(2)7-9/h3-7H,1-2H3,(H,15,17)