4-(2-chloranyl-5-fluoranyl-phenyl)-4-methyl-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-2-(2-phenylethynyl)pentanamide

Systemtic Name: 4-(2-chloranyl-5-fluoranyl-phenyl)-4-methyl-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-2-(2-phenylethynyl)pentanamide Openeye Name: 4-(2-chloro-5-fluoro-phenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(2-phenylethynyl)pentanamide CAS Name: 4-(2-chloro-5-fluorophenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(2-phenylethynyl)pentanamide IUPAC Name: 4-(2-chloro-5-fluorophenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(2-phenylethynyl)pentanamide Traditional Name: 2-[2-(2-chloro-5-fluoro-phenyl)-2-methyl-propyl]-2-hydroxy-N-(1-keto-4-methyl-2,3-benzoxazin-6-yl)-4-phenyl-but-3-ynamide Formula: C29H24ClFN2O4 MolecularWeight: 518.963263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(CC(C)(C)C3=C(C=CC(=C3)F)Cl)(C#CC4=CC=CC=C4)O

Isomeric SMILES

CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(CC(C)(C)C3=C(C=CC(=C3)F)Cl)(C#CC4=CC=CC=C4)O

InChI

InChI=1S/C29H24ClFN2O4/c1-18-23-16-21(10-11-22(23)26(34)37-33-18)32-27(35)29(36,14-13-19-7-5-4-6-8-19)17-28(2,3)24-15-20(31)9-12-25(24)30/h4-12,15-16,36H,17H2,1-3H3,(H,32,35)