4-(1,3-benzodioxol-4-yl)-4-methyl-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-2-(2-phenylethynyl)pentanamide

Systemtic Name: 4-(1,3-benzodioxol-4-yl)-4-methyl-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-2-(2-phenylethynyl)pentanamide Openeye Name: 4-(1,3-benzodioxol-4-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(2-phenylethynyl)pentanamide CAS Name: 4-(1,3-benzodioxol-4-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(2-phenylethynyl)pentanamide IUPAC Name: 4-(1,3-benzodioxol-4-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(2-phenylethynyl)pentanamide Traditional Name: 2-[2-(1,3-benzodioxol-4-yl)-2-methyl-propyl]-2-hydroxy-N-(1-keto-4-methyl-2,3-benzoxazin-6-yl)-4-phenyl-but-3-ynamide Formula: C30H26N2O6 MolecularWeight: 510.53724

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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=C4C(=CC=C3)OCO4)(C#CC5=CC=CC=C5)O

Isomeric SMILES

CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(CC(C)(C)C3=C4C(=CC=C3)OCO4)(C#CC5=CC=CC=C5)O

InChI

InChI=1S/C30H26N2O6/c1-19-23-16-21(12-13-22(23)27(33)38-32-19)31-28(34)30(35,15-14-20-8-5-4-6-9-20)17-29(2,3)24-10-7-11-25-26(24)37-18-36-25/h4-13,16,35H,17-18H2,1-3H3,(H,31,34)