4-(2-cyclopropylethynyl)-6-phenyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Systemtic Name: 4-(2-cyclopropylethynyl)-6-phenyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Openeye Name: 4-(2-cyclopropylethynyl)-6-phenyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one CAS Name: 4-(2-cyclopropylethynyl)-6-phenyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one IUPAC Name: 4-(2-cyclopropylethynyl)-6-phenyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Traditional Name: 4-(2-cyclopropylethynyl)-6-phenyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Formula: C20H14F3NO2 MolecularWeight: 357.32587

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C#CC2(C3=C(C=CC(=C3)C4=CC=CC=C4)NC(=O)O2)C(F)(F)F

Isomeric SMILES

C1CC1C#CC2(C3=C(C=CC(=C3)C4=CC=CC=C4)NC(=O)O2)C(F)(F)F

InChI

InChI=1S/C20H14F3NO2/c21-20(22,23)19(11-10-13-6-7-13)16-12-15(14-4-2-1-3-5-14)8-9-17(16)24-18(25)26-19/h1-5,8-9,12-13H,6-7H2,(H,24,25)