2-[(2E)-2-[(2-bromophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-cyclooctyl-ethanamide

Systemtic Name: 2-[(2E)-2-[(2-bromophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-cyclooctyl-ethanamide Openeye Name: 2-[(2E)-2-[(2-bromophenyl)methylene]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclooctyl-acetamide CAS Name: 2-[(2E)-2-[(2-bromophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclooctylacetamide IUPAC Name: 2-[(2E)-2-[(2-bromophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclooctylacetamide Traditional Name: 2-[(2E)-2-(2-bromobenzylidene)-3-keto-1,4-benzoxazin-4-yl]-N-cyclooctyl-acetamide Formula: C25H27BrN2O3 MolecularWeight: 483.39748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CN2C3=CC=CC=C3OC(=CC4=CC=CC=C4Br)C2=O

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CN2C3=CC=CC=C3O/C(=C/C4=CC=CC=C4Br)/C2=O

InChI

InChI=1S/C25H27BrN2O3/c26-20-13-7-6-10-18(20)16-23-25(30)28(21-14-8-9-15-22(21)31-23)17-24(29)27-19-11-4-2-1-3-5-12-19/h6-10,13-16,19H,1-5,11-12,17H2,(H,27,29)/b23-16+