N-(3-ethynylphenyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(3-ethynylphenyl)-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(3-ethynylphenyl)-1-(4-methylphenyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(3-ethynylphenyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-(3-ethynylphenyl)-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C20H14F3N3O MolecularWeight: 369.33987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=CC(=C3)C#C)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=CC(=C3)C#C)C(F)(F)F

InChI

InChI=1S/C20H14F3N3O/c1-3-14-5-4-6-15(11-14)25-19(27)17-12-24-26(18(17)20(21,22)23)16-9-7-13(2)8-10-16/h1,4-12H,2H3,(H,25,27)