1-[1-(4-fluorophenyl)-7-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[1-(4-fluorophenyl)-7-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[1-(4-fluorophenyl)-7-(2-oxo-2-pyrrolidin-1-yl-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[1-(4-fluorophenyl)-7-[2-oxo-2-(1-pyrrolidinyl)ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[1-(4-fluorophenyl)-7-(2-oxo-2-pyrrolidin-1-ylethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[1-(4-fluorophenyl)-7-(2-keto-2-pyrrolidino-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one Formula: C26H31FN2O3 MolecularWeight: 438.534343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)OCC(=O)N4CCCC4

Isomeric SMILES

CC(C)(C)C(=O)N1CCC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)OCC(=O)N4CCCC4

InChI

InChI=1S/C26H31FN2O3/c1-26(2,3)25(31)29-15-12-18-8-11-21(32-17-23(30)28-13-4-5-14-28)16-22(18)24(29)19-6-9-20(27)10-7-19/h6-11,16,24H,4-5,12-15,17H2,1-3H3