5-methyl-3-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 5-methyl-3-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-1,2-oxazole-4-carboxamide Openeye Name: 5-methyl-3-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]isoxazole-4-carboxamide CAS Name: 5-methyl-3-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-4-isoxazolecarboxamide IUPAC Name: 5-methyl-3-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-1,2-oxazole-4-carboxamide Traditional Name: 5-methyl-3-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]isoxazole-4-carboxamide Formula: C21H15F3N2O2 MolecularWeight: 384.35121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC#CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC#CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H15F3N2O2/c1-14-18(19(26-28-14)16-9-3-2-4-10-16)20(27)25-12-6-8-15-7-5-11-17(13-15)21(22,23)24/h2-5,7,9-11,13H,12H2,1H3,(H,25,27)