2-(4-chloranylphenoxy)-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-methyl-propanamide

Systemtic Name: 2-(4-chloranylphenoxy)-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-methyl-propanamide Openeye Name: 2-(4-chlorophenoxy)-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-methyl-propanamide CAS Name: 2-(4-chlorophenoxy)-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-methylpropanamide IUPAC Name: 2-(4-chlorophenoxy)-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-methylpropanamide Traditional Name: 2-(4-chlorophenoxy)-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-methyl-propionamide Formula: C26H33ClN2O4 MolecularWeight: 473.00422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Cl)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Cl)OCC(C1=O)(C)C

InChI

InChI=1S/C26H33ClN2O4/c1-17(2)13-14-29-21-12-9-19(15-22(21)32-16-25(3,4)24(29)31)28-23(30)26(5,6)33-20-10-7-18(27)8-11-20/h7-12,15,17H,13-14,16H2,1-6H3,(H,28,30)