5-but-1-ynyl-7-chloranyl-3-phenyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one

Systemtic Name: 5-but-1-ynyl-7-chloranyl-3-phenyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Openeye Name: 5-but-1-ynyl-7-chloro-3-phenyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one CAS Name: 5-but-1-ynyl-7-chloro-3-phenyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one IUPAC Name: 5-but-1-ynyl-7-chloro-3-phenyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Traditional Name: 5-but-1-ynyl-7-chloro-3-phenyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Formula: C20H15ClF3NO2 MolecularWeight: 393.78681

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1(C2=C(C=CC(=C2)Cl)NC(=O)C(O1)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCC#CC1(C2=C(C=CC(=C2)Cl)NC(=O)C(O1)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H15ClF3NO2/c1-2-3-11-19(20(22,23)24)15-12-14(21)9-10-16(15)25-18(26)17(27-19)13-7-5-4-6-8-13/h4-10,12,17H,2H2,1H3,(H,25,26)