2-methyl-4-[3-(3-methyl-3-oxidanyl-but-1-ynyl)quinoxalin-2-yl]but-3-yn-2-ol

Systemtic Name: 2-methyl-4-[3-(3-methyl-3-oxidanyl-but-1-ynyl)quinoxalin-2-yl]but-3-yn-2-ol Openeye Name: 4-[3-(3-hydroxy-3-methyl-but-1-ynyl)quinoxalin-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[3-(3-hydroxy-3-methylbut-1-ynyl)-2-quinoxalinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[3-(3-hydroxy-3-methylbut-1-ynyl)quinoxalin-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[3-(3-hydroxy-3-methyl-but-1-ynyl)quinoxalin-2-yl]-2-methyl-but-3-yn-2-ol Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=NC2=CC=CC=C2N=C1C#CC(C)(C)O)O

Isomeric SMILES

CC(C)(C#CC1=NC2=CC=CC=C2N=C1C#CC(C)(C)O)O

InChI

InChI=1S/C18H18N2O2/c1-17(2,21)11-9-15-16(10-12-18(3,4)22)20-14-8-6-5-7-13(14)19-15/h5-8,21-22H,1-4H3