2-(4-chloranylphenoxy)-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)ethanamide

Systemtic Name: 2-(4-chloranylphenoxy)-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)ethanamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2-(4-chlorophenoxy)acetamide CAS Name: 2-(4-chlorophenoxy)-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)acetamide IUPAC Name: 2-(4-chlorophenoxy)-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)acetamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-2-(4-chlorophenoxy)acetamide Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl)N(C1=O)CC=C)C

InChI

InChI=1S/C22H23ClN2O4/c1-4-11-25-18-12-16(7-10-19(18)29-14-22(2,3)21(25)27)24-20(26)13-28-17-8-5-15(23)6-9-17/h4-10,12H,1,11,13-14H2,2-3H3,(H,24,26)