2-chloranyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-6-fluoranyl-benzamide

Systemtic Name: 2-chloranyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-6-fluoranyl-benzamide Openeye Name: 2-chloro-6-fluoro-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzamide CAS Name: 2-chloro-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-6-fluorobenzamide IUPAC Name: 2-chloro-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-6-fluorobenzamide Traditional Name: 2-chloro-6-fluoro-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)benzamide Formula: C23H26ClFN2O3 MolecularWeight: 432.915543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)C3=C(C=CC=C3Cl)F)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)C3=C(C=CC=C3Cl)F)OCC(C1=O)(C)C

InChI

InChI=1S/C23H26ClFN2O3/c1-14(2)10-11-27-18-12-15(8-9-19(18)30-13-23(3,4)22(27)29)26-21(28)20-16(24)6-5-7-17(20)25/h5-9,12,14H,10-11,13H2,1-4H3,(H,26,28)