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

Systemtic Name: 2-[1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-ethynylphenyl)ethanamide Openeye Name: 2-[1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-ethynylphenyl)acetamide CAS Name: 2-[1-(4-chlorophenyl)-3,5-dimethyl-4-pyrazolyl]-N-(3-ethynylphenyl)acetamide IUPAC Name: 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-ethynylphenyl)acetamide Traditional Name: 2-[1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-ethynylphenyl)acetamide Formula: C21H18ClN3O MolecularWeight: 363.84012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)Cl)C)CC(=O)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)Cl)C)CC(=O)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C21H18ClN3O/c1-4-16-6-5-7-18(12-16)23-21(26)13-20-14(2)24-25(15(20)3)19-10-8-17(22)9-11-19/h1,5-12H,13H2,2-3H3,(H,23,26)