N-(3-ethynylphenyl)-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide Openeye Name: N-(3-ethynylphenyl)-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-(3-ethynylphenyl)-1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-(3-ethynylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide Traditional Name: N-(3-ethynylphenyl)-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C20H16FN3O MolecularWeight: 333.358943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN3O/c1-4-15-6-5-7-17(12-15)22-20(25)19-13(2)23-24(14(19)3)18-10-8-16(21)9-11-18/h1,5-12H,2-3H3,(H,22,25)