3-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-methyl-isoquinolin-1-one

Systemtic Name: 3-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-methyl-isoquinolin-1-one Openeye Name: 3-[3-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]-2-methyl-isoquinolin-1-one CAS Name: 3-[3-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]-2-methyl-1-isoquinolinone IUPAC Name: 3-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-methylisoquinolin-1-one Traditional Name: 3-[3-(4,4-dimethyl-2-oxazolin-2-yl)phenyl]-2-methyl-isocarbostyril Formula: C21H20N2O2 MolecularWeight: 332.3957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=N1)C2=CC=CC(=C2)C3=CC4=CC=CC=C4C(=O)N3C)C

Isomeric SMILES

CC1(COC(=N1)C2=CC=CC(=C2)C3=CC4=CC=CC=C4C(=O)N3C)C

InChI

InChI=1S/C21H20N2O2/c1-21(2)13-25-19(22-21)16-9-6-8-15(11-16)18-12-14-7-4-5-10-17(14)20(24)23(18)3/h4-12H,13H2,1-3H3