N-[(5-bromanyl-2-methoxy-phenyl)methyl]-2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-2-(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)acetamide Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C22H25BrN2O4/c1-22(2,3)15-5-7-19-17(10-15)25(21(27)13-29-19)12-20(26)24-11-14-9-16(23)6-8-18(14)28-4/h5-10H,11-13H2,1-4H3,(H,24,26)