5-phenyl-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-phenyl-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-1,2-oxazole-3-carboxamide Openeye Name: 5-phenyl-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)isoxazole-3-carboxamide CAS Name: 5-phenyl-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-isoxazolecarboxamide IUPAC Name: 5-phenyl-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-1,2-oxazole-3-carboxamide Traditional Name: N-(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-8-yl)-5-phenyl-isoxazole-3-carboxamide Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4)N(C1=O)C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4)N(C1=O)C)C

InChI

InChI=1S/C22H21N3O4/c1-22(2)13-28-19-11-15(9-10-17(19)25(3)21(22)27)23-20(26)16-12-18(29-24-16)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,23,26)