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

Systemtic Name: 3-cyano-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]benzamide Openeye Name: 3-cyano-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide CAS Name: 3-cyano-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]benzamide IUPAC Name: 3-cyano-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]benzamide Traditional Name: 3-cyano-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)benzamide Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c1-16(2)10-11-27-20-9-8-19(13-21(20)30-15-24(3,4)23(27)29)26-22(28)18-7-5-6-17(12-18)14-25/h5-9,12-13,16H,10-11,15H2,1-4H3,(H,26,28)