3-(3-methyl-3-oxidanyl-but-1-ynyl)-1-pentyl-cinnolin-4-one

Systemtic Name: 3-(3-methyl-3-oxidanyl-but-1-ynyl)-1-pentyl-cinnolin-4-one Openeye Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-1-pentyl-cinnolin-4-one CAS Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-1-pentyl-4-cinnolinone IUPAC Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-1-pentylcinnolin-4-one Traditional Name: 1-amyl-3-(3-hydroxy-3-methyl-but-1-ynyl)cinnolin-4-one Formula: C18H22N2O2 MolecularWeight: 298.37948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(=O)C(=N1)C#CC(C)(C)O

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(=O)C(=N1)C#CC(C)(C)O

InChI

InChI=1S/C18H22N2O2/c1-4-5-8-13-20-16-10-7-6-9-14(16)17(21)15(19-20)11-12-18(2,3)22/h6-7,9-10,22H,4-5,8,13H2,1-3H3