4-(5,5-dimethyl-2-oxidanylidene-1H-4,1-benzoxazepin-7-yl)-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-(5,5-dimethyl-2-oxidanylidene-1H-4,1-benzoxazepin-7-yl)-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-(5,5-dimethyl-2-oxo-1H-4,1-benzoxazepin-7-yl)-2-fluoro-benzonitrile CAS Name: 4-(5,5-dimethyl-2-oxo-1H-4,1-benzoxazepin-7-yl)-2-fluorobenzonitrile IUPAC Name: 4-(5,5-dimethyl-2-oxo-1H-4,1-benzoxazepin-7-yl)-2-fluorobenzonitrile Traditional Name: 2-fluoro-4-(2-keto-5,5-dimethyl-1H-4,1-benzoxazepin-7-yl)benzonitrile Formula: C18H15FN2O2 MolecularWeight: 310.322303

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC(=C(C=C3)C#N)F)NC(=O)CO1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC(=C(C=C3)C#N)F)NC(=O)CO1)C

InChI

InChI=1S/C18H15FN2O2/c1-18(2)14-7-11(5-6-16(14)21-17(22)10-23-18)12-3-4-13(9-20)15(19)8-12/h3-8H,10H2,1-2H3,(H,21,22)