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

Systemtic Name: 4-chloranyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]butanamide Openeye Name: 4-chloro-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)butanamide CAS Name: 4-chloro-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]butanamide IUPAC Name: 4-chloro-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]butanamide Traditional Name: 4-chloro-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)butyramide Formula: C20H29ClN2O3 MolecularWeight: 380.90886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN2O3/c1-14(2)9-11-23-16-8-7-15(22-18(24)6-5-10-21)12-17(16)26-13-20(3,4)19(23)25/h7-8,12,14H,5-6,9-11,13H2,1-4H3,(H,22,24)