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

Systemtic Name: 3-cyano-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)benzamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-cyano-benzamide CAS Name: 3-cyano-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)benzamide IUPAC Name: 3-cyano-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)benzamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-cyano-benzamide Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C3=CC=CC(=C3)C#N)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C3=CC=CC(=C3)C#N)N(C1=O)CC=C)C

InChI

InChI=1S/C22H21N3O3/c1-4-10-25-18-9-8-17(12-19(18)28-14-22(2,3)21(25)27)24-20(26)16-7-5-6-15(11-16)13-23/h4-9,11-12H,1,10,14H2,2-3H3,(H,24,26)