7-chloranyl-5-pyridin-4-yl-2-[[4-(trifluoromethyloxy)phenyl]methyl]-3H-isoindol-1-one

Systemtic Name: 7-chloranyl-5-pyridin-4-yl-2-[[4-(trifluoromethyloxy)phenyl]methyl]-3H-isoindol-1-one Openeye Name: 7-chloro-5-(4-pyridyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindolin-1-one CAS Name: 7-chloro-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one IUPAC Name: 7-chloro-5-pyridin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one Traditional Name: 7-chloro-5-(4-pyridyl)-2-[4-(trifluoromethoxy)benzyl]isoindolin-1-one Formula: C21H14ClF3N2O2 MolecularWeight: 418.79627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)C3=CC=NC=C3)Cl)C(=O)N1CC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1C2=C(C(=CC(=C2)C3=CC=NC=C3)Cl)C(=O)N1CC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C21H14ClF3N2O2/c22-18-10-15(14-5-7-26-8-6-14)9-16-12-27(20(28)19(16)18)11-13-1-3-17(4-2-13)29-21(23,24)25/h1-10H,11-12H2