7-(quinolin-6-ylmethylamino)-2-[4-(trifluoromethyloxy)phenyl]-3H-isoindol-1-one

Systemtic Name: 7-(quinolin-6-ylmethylamino)-2-[4-(trifluoromethyloxy)phenyl]-3H-isoindol-1-one Openeye Name: 7-(6-quinolylmethylamino)-2-[4-(trifluoromethoxy)phenyl]isoindolin-1-one CAS Name: 7-(6-quinolinylmethylamino)-2-[4-(trifluoromethoxy)phenyl]-3H-isoindol-1-one IUPAC Name: 7-(quinolin-6-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]-3H-isoindol-1-one Traditional Name: 7-(6-quinolylmethylamino)-2-[4-(trifluoromethoxy)phenyl]isoindolin-1-one Formula: C25H18F3N3O2 MolecularWeight: 449.42453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC=C2)NCC3=CC4=C(C=C3)N=CC=C4)C(=O)N1C5=CC=C(C=C5)OC(F)(F)F

Isomeric SMILES

C1C2=C(C(=CC=C2)NCC3=CC4=C(C=C3)N=CC=C4)C(=O)N1C5=CC=C(C=C5)OC(F)(F)F

InChI

InChI=1S/C25H18F3N3O2/c26-25(27,28)33-20-9-7-19(8-10-20)31-15-18-3-1-5-22(23(18)24(31)32)30-14-16-6-11-21-17(13-16)4-2-12-29-21/h1-13,30H,14-15H2