3-(2,2-dimethylpropyl)-6-phenylmethoxy-3,4-dihydro-2H-isoquinolin-1-one

Systemtic Name: 3-(2,2-dimethylpropyl)-6-phenylmethoxy-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: 6-benzyloxy-3-(2,2-dimethylpropyl)-3,4-dihydro-2H-isoquinolin-1-one CAS Name: 3-(2,2-dimethylpropyl)-6-phenylmethoxy-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: 3-(2,2-dimethylpropyl)-6-phenylmethoxy-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: 6-benzoxy-3-neopentyl-3,4-dihydroisocarbostyril Formula: C21H25NO2 MolecularWeight: 323.4287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1CC2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CC(C)(C)CC1CC2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C21H25NO2/c1-21(2,3)13-17-11-16-12-18(9-10-19(16)20(23)22-17)24-14-15-7-5-4-6-8-15/h4-10,12,17H,11,13-14H2,1-3H3,(H,22,23)