7-(3-chloranyl-4-fluoranyl-phenyl)-5-ethyl-5-(furan-2-yl)-1H-4,1-benzoxazepin-2-one

Systemtic Name: 7-(3-chloranyl-4-fluoranyl-phenyl)-5-ethyl-5-(furan-2-yl)-1H-4,1-benzoxazepin-2-one Openeye Name: 7-(3-chloro-4-fluoro-phenyl)-5-ethyl-5-(2-furyl)-1H-4,1-benzoxazepin-2-one CAS Name: 7-(3-chloro-4-fluorophenyl)-5-ethyl-5-(2-furanyl)-1H-4,1-benzoxazepin-2-one IUPAC Name: 7-(3-chloro-4-fluorophenyl)-5-ethyl-5-(furan-2-yl)-1H-4,1-benzoxazepin-2-one Traditional Name: 7-(3-chloro-4-fluoro-phenyl)-5-ethyl-5-(2-furyl)-1H-4,1-benzoxazepin-2-one Formula: C21H17ClFNO3 MolecularWeight: 385.815983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=CC(=C(C=C3)F)Cl)NC(=O)CO1)C4=CC=CO4

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=CC(=C(C=C3)F)Cl)NC(=O)CO1)C4=CC=CO4

InChI

InChI=1S/C21H17ClFNO3/c1-2-21(19-4-3-9-26-19)15-10-13(14-5-7-17(23)16(22)11-14)6-8-18(15)24-20(25)12-27-21/h3-11H,2,12H2,1H3,(H,24,25)