2-[3-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one

Systemtic Name: 2-[3-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one Openeye Name: 7-(4-pyridylmethylamino)-2-[3-tetrahydrofuran-3-yloxy-5-(trifluoromethyl)phenyl]isoindolin-1-one CAS Name: 2-[3-(3-oxolanyloxy)-5-(trifluoromethyl)phenyl]-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one IUPAC Name: 2-[3-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one Traditional Name: 7-(4-pyridylmethylamino)-2-[3-tetrahydrofuran-3-yloxy-5-(trifluoromethyl)phenyl]isoindolin-1-one Formula: C25H22F3N3O3 MolecularWeight: 469.45569

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1OC2=CC(=CC(=C2)N3CC4=C(C3=O)C(=CC=C4)NCC5=CC=NC=C5)C(F)(F)F

Isomeric SMILES

C1COCC1OC2=CC(=CC(=C2)N3CC4=C(C3=O)C(=CC=C4)NCC5=CC=NC=C5)C(F)(F)F

InChI

InChI=1S/C25H22F3N3O3/c26-25(27,28)18-10-19(12-21(11-18)34-20-6-9-33-15-20)31-14-17-2-1-3-22(23(17)24(31)32)30-13-16-4-7-29-8-5-16/h1-5,7-8,10-12,20,30H,6,9,13-15H2