N-(3-ethynylphenyl)-5-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-5-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide Openeye Name: N-(3-ethynylphenyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide CAS Name: N-(3-ethynylphenyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyrrolidinecarboxamide IUPAC Name: N-(3-ethynylphenyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide Traditional Name: N-(3-ethynylphenyl)-5-keto-1-[3-(trifluoromethyl)benzyl]pyrrolidine-3-carboxamide Formula: C21H17F3N2O2 MolecularWeight: 386.36709

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2CC(=O)N(C2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2CC(=O)N(C2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H17F3N2O2/c1-2-14-5-4-8-18(10-14)25-20(28)16-11-19(27)26(13-16)12-15-6-3-7-17(9-15)21(22,23)24/h1,3-10,16H,11-13H2,(H,25,28)