3-(3,3-dimethylbut-1-ynyl)-1-(2-methylpropyl)cinnolin-4-one

Systemtic Name: 3-(3,3-dimethylbut-1-ynyl)-1-(2-methylpropyl)cinnolin-4-one Openeye Name: 3-(3,3-dimethylbut-1-ynyl)-1-isobutyl-cinnolin-4-one CAS Name: 3-(3,3-dimethylbut-1-ynyl)-1-(2-methylpropyl)-4-cinnolinone IUPAC Name: 3-(3,3-dimethylbut-1-ynyl)-1-(2-methylpropyl)cinnolin-4-one Traditional Name: 3-(3,3-dimethylbut-1-ynyl)-1-isobutyl-cinnolin-4-one Formula: C18H22N2O MolecularWeight: 282.38008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2C(=O)C(=N1)C#CC(C)(C)C

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2C(=O)C(=N1)C#CC(C)(C)C

InChI

InChI=1S/C18H22N2O/c1-13(2)12-20-16-9-7-6-8-14(16)17(21)15(19-20)10-11-18(3,4)5/h6-9,13H,12H2,1-5H3