4-cyano-N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)benzamide

Systemtic Name: 4-cyano-N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)benzamide Openeye Name: 4-cyano-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide CAS Name: 4-cyano-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide IUPAC Name: 4-cyano-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide Traditional Name: 4-cyano-N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)benzamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)OCC(C1=O)(C)C

InChI

InChI=1S/C21H21N3O3/c1-4-24-17-10-9-16(11-18(17)27-13-21(2,3)20(24)26)23-19(25)15-7-5-14(12-22)6-8-15/h5-11H,4,13H2,1-3H3,(H,23,25)