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

Systemtic Name: 3-chloranyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2,2-dimethyl-propanamide Openeye Name: 3-chloro-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2,2-dimethyl-propanamide CAS Name: 3-chloro-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2,2-dimethylpropanamide IUPAC Name: 3-chloro-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2,2-dimethylpropanamide Traditional Name: 3-chloro-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2,2-dimethyl-propionamide Formula: C21H31ClN2O3 MolecularWeight: 394.93544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)C(C)(C)CCl)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)C(C)(C)CCl)OCC(C1=O)(C)C

InChI

InChI=1S/C21H31ClN2O3/c1-14(2)9-10-24-16-8-7-15(23-18(25)20(3,4)12-22)11-17(16)27-13-21(5,6)19(24)26/h7-8,11,14H,9-10,12-13H2,1-6H3,(H,23,25)