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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-iodanyl-4-methyl-phenyl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-iodo-4-methyl-phenyl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-(3-iodo-4-methylphenyl)propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-iodo-4-methylphenyl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-iodo-4-methyl-phenyl)propionamide Formula: C18H21IN4O MolecularWeight: 436.29001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=C(N(N=C2C)CCC#N)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=C(N(N=C2C)CCC#N)C)I

InChI

InChI=1S/C18H21IN4O/c1-12-5-6-15(11-17(12)19)21-18(24)8-7-16-13(2)22-23(14(16)3)10-4-9-20/h5-6,11H,4,7-8,10H2,1-3H3,(H,21,24)