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

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-5-phenyl-isoxazole-3-carboxamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-5-phenyl-isoxazole-3-carboxamide Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4)OCC(C1=O)(C)C

InChI

InChI=1S/C25H27N3O4/c1-16(2)14-28-20-11-10-18(12-22(20)31-15-25(3,4)24(28)30)26-23(29)19-13-21(32-27-19)17-8-6-5-7-9-17/h5-13,16H,14-15H2,1-4H3,(H,26,29)