3-[5-ethyl-5-(furan-2-yl)-2-oxidanylidene-1H-4,1-benzoxazepin-7-yl]-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[5-ethyl-5-(furan-2-yl)-2-oxidanylidene-1H-4,1-benzoxazepin-7-yl]-5-fluoranyl-benzenecarbonitrile Openeye Name: 3-[5-ethyl-5-(2-furyl)-2-oxo-1H-4,1-benzoxazepin-7-yl]-5-fluoro-benzonitrile CAS Name: 3-[5-ethyl-5-(2-furanyl)-2-oxo-1H-4,1-benzoxazepin-7-yl]-5-fluorobenzonitrile IUPAC Name: 3-[5-ethyl-5-(furan-2-yl)-2-oxo-1H-4,1-benzoxazepin-7-yl]-5-fluorobenzonitrile Traditional Name: 3-[5-ethyl-5-(2-furyl)-2-keto-1H-4,1-benzoxazepin-7-yl]-5-fluoro-benzonitrile Formula: C22H17FN2O3 MolecularWeight: 376.380383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17FN2O3/c1-2-22(20-4-3-7-27-20)18-11-15(5-6-19(18)25-21(26)13-28-22)16-8-14(12-24)9-17(23)10-16/h3-11H,2,13H2,1H3,(H,25,26)