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

Systemtic Name: 7-(pyridin-4-ylmethylamino)-2-[3-(trifluoromethyloxy)phenyl]-3H-isoindol-1-one Openeye Name: 7-(4-pyridylmethylamino)-2-[3-(trifluoromethoxy)phenyl]isoindolin-1-one CAS Name: 7-(pyridin-4-ylmethylamino)-2-[3-(trifluoromethoxy)phenyl]-3H-isoindol-1-one IUPAC Name: 7-(pyridin-4-ylmethylamino)-2-[3-(trifluoromethoxy)phenyl]-3H-isoindol-1-one Traditional Name: 7-(4-pyridylmethylamino)-2-[3-(trifluoromethoxy)phenyl]isoindolin-1-one Formula: C21H16F3N3O2 MolecularWeight: 399.36585

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC=C2)NCC3=CC=NC=C3)C(=O)N1C4=CC(=CC=C4)OC(F)(F)F

Isomeric SMILES

C1C2=C(C(=CC=C2)NCC3=CC=NC=C3)C(=O)N1C4=CC(=CC=C4)OC(F)(F)F

InChI

InChI=1S/C21H16F3N3O2/c22-21(23,24)29-17-5-2-4-16(11-17)27-13-15-3-1-6-18(19(15)20(27)28)26-12-14-7-9-25-10-8-14/h1-11,26H,12-13H2