N-[3-[[2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]methyl]phenyl]cyclobutanecarboxamide

Systemtic Name: N-[3-[[2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]methyl]phenyl]cyclobutanecarboxamide Openeye Name: N-[3-[[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]methyl]phenyl]cyclobutanecarboxamide CAS Name: N-[3-[[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]methyl]phenyl]cyclobutanecarboxamide IUPAC Name: N-[3-[[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]methyl]phenyl]cyclobutanecarboxamide Traditional Name: N-[3-[[[2-(7-bromo-3-keto-1,4-benzoxazin-4-yl)acetyl]amino]methyl]phenyl]cyclobutanecarboxamide Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=CC=CC(=C2)CNC(=O)CN3C(=O)COC4=C3C=CC(=C4)Br

Isomeric SMILES

C1CC(C1)C(=O)NC2=CC=CC(=C2)CNC(=O)CN3C(=O)COC4=C3C=CC(=C4)Br

InChI

InChI=1S/C22H22BrN3O4/c23-16-7-8-18-19(10-16)30-13-21(28)26(18)12-20(27)24-11-14-3-1-6-17(9-14)25-22(29)15-4-2-5-15/h1,3,6-10,15H,2,4-5,11-13H2,(H,24,27)(H,25,29)