6-chloranyl-4-(2-pyrrolidin-1-ylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Systemtic Name: 6-chloranyl-4-(2-pyrrolidin-1-ylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Openeye Name: 6-chloro-4-(2-pyrrolidin-1-ylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one CAS Name: 6-chloro-4-[2-(1-pyrrolidinyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one IUPAC Name: 6-chloro-4-(2-pyrrolidin-1-ylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Traditional Name: 6-chloro-4-(2-pyrrolidinoethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Formula: C15H12ClF3N2O2 MolecularWeight: 344.71619

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F

InChI

InChI=1S/C15H12ClF3N2O2/c16-10-3-4-12-11(9-10)14(15(17,18)19,23-13(22)20-12)5-8-21-6-1-2-7-21/h3-4,9H,1-2,6-7H2,(H,20,22)