4-tert-butyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]benzamide Openeye Name: 4-tert-butyl-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide CAS Name: 4-tert-butyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]benzamide IUPAC Name: 4-tert-butyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]benzamide Traditional Name: 4-tert-butyl-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)benzamide Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O3/c1-18(2)14-15-29-22-13-12-21(16-23(22)32-17-27(6,7)25(29)31)28-24(30)19-8-10-20(11-9-19)26(3,4)5/h8-13,16,18H,14-15,17H2,1-7H3,(H,28,30)