(4S)-6-methoxy-4-(2-phenylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one

Systemtic Name: (4S)-6-methoxy-4-(2-phenylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one Openeye Name: (4S)-6-methoxy-4-(2-phenylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one CAS Name: (4S)-6-methoxy-4-(2-phenylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one IUPAC Name: (4S)-6-methoxy-4-(2-phenylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one Traditional Name: (4S)-6-methoxy-4-(2-phenylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one Formula: C18H13F3N2O2 MolecularWeight: 346.30323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)NC2(C#CC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)N[C@]2(C#CC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O2/c1-25-13-7-8-15-14(11-13)17(18(19,20)21,23-16(24)22-15)10-9-12-5-3-2-4-6-12/h2-8,11H,1H3,(H2,22,23,24)/t17-/m0/s1