2-(4-tert-butylphenoxy)-N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)ethanamide

Systemtic Name: 2-(4-tert-butylphenoxy)-N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)ethanamide Openeye Name: 2-(4-tert-butylphenoxy)-N-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)acetamide IUPAC Name: 2-(4-tert-butylphenoxy)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)acetamide Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)COC4=CC=C(C=C4)C(C)(C)C)C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)COC4=CC=C(C=C4)C(C)(C)C)C(=O)N2C

InChI

InChI=1S/C27H28N2O4/c1-17-6-12-24-22(14-17)29(5)26(31)21-15-19(9-13-23(21)33-24)28-25(30)16-32-20-10-7-18(8-11-20)27(2,3)4/h6-15H,16H2,1-5H3,(H,28,30)