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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC=C2)NCC3=CC=NC4=CC=CC=C34)C(=O)N1C5=CC=C(C=C5)OC(F)(F)F

Isomeric SMILES

C1C2=C(C(=CC=C2)NCC3=CC=NC4=CC=CC=C34)C(=O)N1C5=CC=C(C=C5)OC(F)(F)F

InChI

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