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

Systemtic Name: 2-(4-chloranylphenoxy)-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-methyl-propanamide Openeye Name: 2-(4-chlorophenoxy)-N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-methyl-propanamide CAS Name: 2-(4-chlorophenoxy)-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-methylpropanamide IUPAC Name: 2-(4-chlorophenoxy)-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-methylpropanamide Traditional Name: 2-(4-chlorophenoxy)-N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-methyl-propionamide Formula: C25H31ClN2O4 MolecularWeight: 458.97764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=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)CN1C2=C(C=C(C=C2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Cl)OCC(C1=O)(C)C

InChI

InChI=1S/C25H31ClN2O4/c1-16(2)14-28-20-12-9-18(13-21(20)31-15-24(3,4)23(28)30)27-22(29)25(5,6)32-19-10-7-17(26)8-11-19/h7-13,16H,14-15H2,1-6H3,(H,27,29)