(4S)-6-chloranyl-4-(2-pyridin-2-ylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one

Systemtic Name: (4S)-6-chloranyl-4-(2-pyridin-2-ylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one Openeye Name: (4S)-6-chloro-4-[2-(2-pyridyl)ethynyl]-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one CAS Name: (4S)-6-chloro-4-[2-(2-pyridinyl)ethynyl]-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one IUPAC Name: (4S)-6-chloro-4-(2-pyridin-2-ylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one Traditional Name: (4S)-6-chloro-4-[2-(2-pyridyl)ethynyl]-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one Formula: C16H9ClF3N3O MolecularWeight: 351.71037

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)N2)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)N2)C(F)(F)F

InChI

InChI=1S/C16H9ClF3N3O/c17-10-4-5-13-12(9-10)15(16(18,19)20,23-14(24)22-13)7-6-11-3-1-2-8-21-11/h1-5,8-9H,(H2,22,23,24)/t15-/m0/s1