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

Systemtic Name: 2-[2-(4-dimethylaminophenyl)ethynyl]-4-methyl-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-4-phenyl-pentanamide Openeye Name: 2-[2-(4-dimethylaminophenyl)ethynyl]-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-4-phenyl-pentanamide CAS Name: 2-[2-(4-dimethylaminophenyl)ethynyl]-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-4-phenylpentanamide IUPAC Name: 2-[2-(4-dimethylaminophenyl)ethynyl]-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-4-phenylpentanamide Traditional Name: 4-(4-dimethylaminophenyl)-2-hydroxy-N-(1-keto-4-methyl-2,3-benzoxazin-6-yl)-2-neophyl-but-3-ynamide Formula: C31H31N3O4 MolecularWeight: 509.59554

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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)N(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)N(C)C)O

InChI

InChI=1S/C31H31N3O4/c1-21-27-19-24(13-16-26(27)28(35)38-33-21)32-29(36)31(37,20-30(2,3)23-9-7-6-8-10-23)18-17-22-11-14-25(15-12-22)34(4)5/h6-16,19,37H,20H2,1-5H3,(H,32,36)