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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-ethynylphenyl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-ethynylphenyl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-(3-ethynylphenyl)propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethynylphenyl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-ethynylphenyl)propionamide Formula: C19H20N4O MolecularWeight: 320.3883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O/c1-4-16-7-5-8-17(13-16)21-19(24)10-9-18-14(2)22-23(15(18)3)12-6-11-20/h1,5,7-8,13H,6,9-10,12H2,2-3H3,(H,21,24)