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

Systemtic Name: 3-(5-ethyl-2-oxidanylidene-5-thiophen-3-yl-1H-4,1-benzoxazepin-7-yl)-5-fluoranyl-benzenecarbonitrile Openeye Name: 3-[5-ethyl-2-oxo-5-(3-thienyl)-1H-4,1-benzoxazepin-7-yl]-5-fluoro-benzonitrile CAS Name: 3-[5-ethyl-2-oxo-5-(3-thiophenyl)-1H-4,1-benzoxazepin-7-yl]-5-fluorobenzonitrile IUPAC Name: 3-(5-ethyl-2-oxo-5-thiophen-3-yl-1H-4,1-benzoxazepin-7-yl)-5-fluorobenzonitrile Traditional Name: 3-[5-ethyl-2-keto-5-(3-thienyl)-1H-4,1-benzoxazepin-7-yl]-5-fluoro-benzonitrile Formula: C22H17FN2O2S MolecularWeight: 392.445983

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H17FN2O2S/c1-2-22(17-5-6-28-13-17)19-10-15(3-4-20(19)25-21(26)12-27-22)16-7-14(11-24)8-18(23)9-16/h3-10,13H,2,12H2,1H3,(H,25,26)