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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C3=NC=C(O3)C4=CC=CC=C4)N(C1=O)C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C3=NC=C(O3)C4=CC=CC=C4)N(C1=O)C)C

InChI

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