3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-iodanylphenyl)propanamide

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-iodanylphenyl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-iodophenyl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-(3-iodophenyl)propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-iodophenyl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-iodophenyl)propionamide Formula: C17H19IN4O MolecularWeight: 422.26343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC(=CC=C2)I

InChI

InChI=1S/C17H19IN4O/c1-12-16(13(2)22(21-12)10-4-9-19)7-8-17(23)20-15-6-3-5-14(18)11-15/h3,5-6,11H,4,7-8,10H2,1-2H3,(H,20,23)