3-fluoranyl-5-(2-oxidanylidene-5-propan-2-yl-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzenecarbonitrile

Systemtic Name: 3-fluoranyl-5-(2-oxidanylidene-5-propan-2-yl-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzenecarbonitrile Openeye Name: 3-fluoro-5-[5-isopropyl-2-oxo-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]benzonitrile CAS Name: 3-fluoro-5-(2-oxo-5-propan-2-yl-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzonitrile IUPAC Name: 3-fluoro-5-(2-oxo-5-propan-2-yl-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzonitrile Traditional Name: 3-fluoro-5-[5-isopropyl-2-keto-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]benzonitrile Formula: C23H19FN2O2S MolecularWeight: 406.472563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C2=C(C=CC(=C2)C3=CC(=CC(=C3)C#N)F)NC(=O)CO1)C4=CC=CS4

Isomeric SMILES

CC(C)C1(C2=C(C=CC(=C2)C3=CC(=CC(=C3)C#N)F)NC(=O)CO1)C4=CC=CS4

InChI

InChI=1S/C23H19FN2O2S/c1-14(2)23(21-4-3-7-29-21)19-11-16(5-6-20(19)26-22(27)13-28-23)17-8-15(12-25)9-18(24)10-17/h3-11,14H,13H2,1-2H3,(H,26,27)