6-chloranyl-4-(2-cyclopropylethynyl)-3-(1-phenylethyl)-4-(trifluoromethyl)-1H-quinazolin-2-one

Systemtic Name: 6-chloranyl-4-(2-cyclopropylethynyl)-3-(1-phenylethyl)-4-(trifluoromethyl)-1H-quinazolin-2-one Openeye Name: 6-chloro-4-(2-cyclopropylethynyl)-3-(1-phenylethyl)-4-(trifluoromethyl)-1H-quinazolin-2-one CAS Name: 6-chloro-4-(2-cyclopropylethynyl)-3-(1-phenylethyl)-4-(trifluoromethyl)-1H-quinazolin-2-one IUPAC Name: 6-chloro-4-(2-cyclopropylethynyl)-3-(1-phenylethyl)-4-(trifluoromethyl)-1H-quinazolin-2-one Traditional Name: 6-chloro-4-(2-cyclopropylethynyl)-3-(1-phenylethyl)-4-(trifluoromethyl)-1H-quinazolin-2-one Formula: C22H18ClF3N2O MolecularWeight: 418.83933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)NC3=C(C2(C#CC4CC4)C(F)(F)F)C=C(C=C3)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=O)NC3=C(C2(C#CC4CC4)C(F)(F)F)C=C(C=C3)Cl

InChI

InChI=1S/C22H18ClF3N2O/c1-14(16-5-3-2-4-6-16)28-20(29)27-19-10-9-17(23)13-18(19)21(28,22(24,25)26)12-11-15-7-8-15/h2-6,9-10,13-15H,7-8H2,1H3,(H,27,29)