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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-(2-fluoranylphenoxy)ethanamide Openeye Name: 2-(2-fluorophenoxy)-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)acetamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-(2-fluorophenoxy)acetamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-(2-fluorophenoxy)acetamide Traditional Name: 2-(2-fluorophenoxy)-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)acetamide Formula: C24H29FN2O4 MolecularWeight: 428.496463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3F)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3F)OCC(C1=O)(C)C

InChI

InChI=1S/C24H29FN2O4/c1-16(2)11-12-27-19-10-9-17(13-21(19)31-15-24(3,4)23(27)29)26-22(28)14-30-20-8-6-5-7-18(20)25/h5-10,13,16H,11-12,14-15H2,1-4H3,(H,26,28)