4-cyano-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]benzamide

Systemtic Name: 4-cyano-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]benzamide Openeye Name: 4-cyano-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzamide CAS Name: 4-cyano-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]benzamide IUPAC Name: 4-cyano-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]benzamide Traditional Name: 4-cyano-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)benzamide Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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