1-(2-isoquinolin-1-ylphenyl)-2,2-dimethyl-propane-1,3-diol

Systemtic Name: 1-(2-isoquinolin-1-ylphenyl)-2,2-dimethyl-propane-1,3-diol Openeye Name: 1-[2-(1-isoquinolyl)phenyl]-2,2-dimethyl-propane-1,3-diol CAS Name: 1-[2-(1-isoquinolinyl)phenyl]-2,2-dimethylpropane-1,3-diol IUPAC Name: 1-(2-isoquinolin-1-ylphenyl)-2,2-dimethylpropane-1,3-diol Traditional Name: 1-[2-(1-isoquinolyl)phenyl]-2,2-dimethyl-propane-1,3-diol Formula: C20H21NO2 MolecularWeight: 307.38624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C1=CC=CC=C1C2=NC=CC3=CC=CC=C32)O

Isomeric SMILES

CC(C)(CO)C(C1=CC=CC=C1C2=NC=CC3=CC=CC=C32)O

InChI

InChI=1S/C20H21NO2/c1-20(2,13-22)19(23)17-10-6-5-9-16(17)18-15-8-4-3-7-14(15)11-12-21-18/h3-12,19,22-23H,13H2,1-2H3