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

Systemtic Name: 3-chloranyl-N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)benzamide Openeye Name: 3-chloro-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide CAS Name: 3-chloro-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide IUPAC Name: 3-chloro-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide Traditional Name: 3-chloro-N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)benzamide Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3/c1-4-23-16-9-8-15(11-17(16)26-12-20(2,3)19(23)25)22-18(24)13-6-5-7-14(21)10-13/h5-11H,4,12H2,1-3H3,(H,22,24)