2-[2-(4-ethanoylphenyl)ethynyl]-4-methyl-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-4-phenyl-pentanamide

Systemtic Name: 2-[2-(4-ethanoylphenyl)ethynyl]-4-methyl-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-4-phenyl-pentanamide Openeye Name: 2-[2-(4-acetylphenyl)ethynyl]-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-4-phenyl-pentanamide CAS Name: 2-[2-(4-acetylphenyl)ethynyl]-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-4-phenylpentanamide IUPAC Name: 2-[2-(4-acetylphenyl)ethynyl]-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-4-phenylpentanamide Traditional Name: 4-(4-acetylphenyl)-2-hydroxy-N-(1-keto-4-methyl-2,3-benzoxazin-6-yl)-2-neophyl-but-3-ynamide Formula: C31H28N2O5 MolecularWeight: 508.56442

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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=CC=CC=C3)(C#CC4=CC=C(C=C4)C(=O)C)O

Isomeric SMILES

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

InChI

InChI=1S/C31H28N2O5/c1-20-27-18-25(14-15-26(27)28(35)38-33-20)32-29(36)31(37,19-30(3,4)24-8-6-5-7-9-24)17-16-22-10-12-23(13-11-22)21(2)34/h5-15,18,37H,19H2,1-4H3,(H,32,36)