N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-5-phenyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-5-phenyl-isoxazole-3-carboxamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-5-phenyl-isoxazole-3-carboxamide Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4)OCC(C1=O)(C)C

InChI

InChI=1S/C26H29N3O4/c1-17(2)12-13-29-21-11-10-19(14-23(21)32-16-26(3,4)25(29)31)27-24(30)20-15-22(33-28-20)18-8-6-5-7-9-18/h5-11,14-15,17H,12-13,16H2,1-4H3,(H,27,30)