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

Systemtic Name: 1-[1-(3-fluorophenyl)-7-(1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl)oxy-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[1-(3-fluorophenyl)-7-[1-(pyrrolidine-1-carbonyl)propoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[1-(3-fluorophenyl)-7-[1-oxo-1-(1-pyrrolidinyl)butan-2-yl]oxy-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[1-(3-fluorophenyl)-7-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)oxy-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[1-(3-fluorophenyl)-7-[1-(pyrrolidine-1-carbonyl)propoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one Formula: C28H35FN2O3 MolecularWeight: 466.587503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCC1)OC2=CC3=C(CCN(C3C4=CC(=CC=C4)F)C(=O)C(C)(C)C)C=C2

Isomeric SMILES

CCC(C(=O)N1CCCC1)OC2=CC3=C(CCN(C3C4=CC(=CC=C4)F)C(=O)C(C)(C)C)C=C2

InChI

InChI=1S/C28H35FN2O3/c1-5-24(26(32)30-14-6-7-15-30)34-22-12-11-19-13-16-31(27(33)28(2,3)4)25(23(19)18-22)20-9-8-10-21(29)17-20/h8-12,17-18,24-25H,5-7,13-16H2,1-4H3