7-(pyridin-4-ylmethylamino)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-isoindol-1-one

Systemtic Name: 7-(pyridin-4-ylmethylamino)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-isoindol-1-one Openeye Name: 7-(4-pyridylmethylamino)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]isoindolin-1-one CAS Name: 7-(pyridin-4-ylmethylamino)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-isoindol-1-one IUPAC Name: 7-(pyridin-4-ylmethylamino)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-isoindol-1-one Traditional Name: 7-(4-pyridylmethylamino)-2-[2-[3-(trifluoromethyl)phenyl]ethyl]isoindolin-1-one Formula: C23H20F3N3O MolecularWeight: 411.41961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC=C2)NCC3=CC=NC=C3)C(=O)N1CCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1C2=C(C(=CC=C2)NCC3=CC=NC=C3)C(=O)N1CCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H20F3N3O/c24-23(25,26)19-5-1-3-16(13-19)9-12-29-15-18-4-2-6-20(21(18)22(29)30)28-14-17-7-10-27-11-8-17/h1-8,10-11,13,28H,9,12,14-15H2