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

Systemtic Name: 2-[3-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-7-(pyridin-4-ylamino)-3H-isoindol-1-one Openeye Name: 7-(4-pyridylamino)-2-[3-tetrahydrofuran-3-yloxy-5-(trifluoromethyl)phenyl]isoindolin-1-one CAS Name: 2-[3-(3-oxolanyloxy)-5-(trifluoromethyl)phenyl]-7-(pyridin-4-ylamino)-3H-isoindol-1-one IUPAC Name: 2-[3-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-7-(pyridin-4-ylamino)-3H-isoindol-1-one Traditional Name: 7-(4-pyridylamino)-2-[3-tetrahydrofuran-3-yloxy-5-(trifluoromethyl)phenyl]isoindolin-1-one Formula: C24H20F3N3O3 MolecularWeight: 455.42911

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1OC2=CC(=CC(=C2)N3CC4=C(C3=O)C(=CC=C4)NC5=CC=NC=C5)C(F)(F)F

Isomeric SMILES

C1COCC1OC2=CC(=CC(=C2)N3CC4=C(C3=O)C(=CC=C4)NC5=CC=NC=C5)C(F)(F)F

InChI

InChI=1S/C24H20F3N3O3/c25-24(26,27)16-10-18(12-20(11-16)33-19-6-9-32-14-19)30-13-15-2-1-3-21(22(15)23(30)31)29-17-4-7-28-8-5-17/h1-5,7-8,10-12,19H,6,9,13-14H2,(H,28,29)