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

Systemtic Name: 3-cyano-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]benzamide Openeye Name: 3-cyano-N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide CAS Name: 3-cyano-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]benzamide IUPAC Name: 3-cyano-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]benzamide Traditional Name: 3-cyano-N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)benzamide Formula: C23H25N3O3 MolecularWeight: 391.4629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N)OCC(C1=O)(C)C

InChI

InChI=1S/C23H25N3O3/c1-15(2)13-26-19-9-8-18(11-20(19)29-14-23(3,4)22(26)28)25-21(27)17-7-5-6-16(10-17)12-24/h5-11,15H,13-14H2,1-4H3,(H,25,27)