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

Systemtic Name: 7-(pyridin-4-ylmethylamino)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one Openeye Name: 7-(4-pyridylmethylamino)-2-[[3-(trifluoromethyl)phenyl]methyl]isoindolin-1-one CAS Name: 7-(pyridin-4-ylmethylamino)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one IUPAC Name: 7-(pyridin-4-ylmethylamino)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one Traditional Name: 7-(4-pyridylmethylamino)-2-[3-(trifluoromethyl)benzyl]isoindolin-1-one Formula: C22H18F3N3O MolecularWeight: 397.39303

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC=C2)NCC3=CC=NC=C3)C(=O)N1CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1C2=C(C(=CC=C2)NCC3=CC=NC=C3)C(=O)N1CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H18F3N3O/c23-22(24,25)18-5-1-3-16(11-18)13-28-14-17-4-2-6-19(20(17)21(28)29)27-12-15-7-9-26-10-8-15/h1-11,27H,12-14H2