6-chloranyl-4-(2-cyclopropylethynyl)-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-3H-quinazolin-2-one

Systemtic Name: 6-chloranyl-4-(2-cyclopropylethynyl)-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-3H-quinazolin-2-one Openeye Name: 6-chloro-4-(2-cyclopropylethynyl)-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-3H-quinazolin-2-one CAS Name: 6-chloro-4-(2-cyclopropylethynyl)-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-3H-quinazolin-2-one IUPAC Name: 6-chloro-4-(2-cyclopropylethynyl)-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-3H-quinazolin-2-one Traditional Name: 6-chloro-4-(2-cyclopropylethynyl)-1-p-anisyl-4-(trifluoromethyl)-3H-quinazolin-2-one Formula: C22H18ClF3N2O2 MolecularWeight: 434.83873

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(NC2=O)(C#CC4CC4)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(NC2=O)(C#CC4CC4)C(F)(F)F

InChI

InChI=1S/C22H18ClF3N2O2/c1-30-17-7-4-15(5-8-17)13-28-19-9-6-16(23)12-18(19)21(22(24,25)26,27-20(28)29)11-10-14-2-3-14/h4-9,12,14H,2-3,13H2,1H3,(H,27,29)