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

Systemtic Name: 2-[2-(4-tert-butylphenyl)ethynyl]-4-methyl-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-4-phenyl-pentanamide Openeye Name: 2-[2-(4-tert-butylphenyl)ethynyl]-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-4-phenyl-pentanamide CAS Name: 2-[2-(4-tert-butylphenyl)ethynyl]-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-4-phenylpentanamide IUPAC Name: 2-[2-(4-tert-butylphenyl)ethynyl]-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-4-phenylpentanamide Traditional Name: 4-(4-tert-butylphenyl)-2-hydroxy-N-(1-keto-4-methyl-2,3-benzoxazin-6-yl)-2-neophyl-but-3-ynamide Formula: C33H34N2O4 MolecularWeight: 522.63406

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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(C)(C)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(C)(C)C)O

InChI

InChI=1S/C33H34N2O4/c1-22-28-20-26(16-17-27(28)29(36)39-35-22)34-30(37)33(38,21-32(5,6)25-10-8-7-9-11-25)19-18-23-12-14-24(15-13-23)31(2,3)4/h7-17,20,38H,21H2,1-6H3,(H,34,37)