2-[3-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-7-(quinolin-6-ylmethylamino)-3H-isoindol-1-one

Systemtic Name: 2-[3-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-7-(quinolin-6-ylmethylamino)-3H-isoindol-1-one Openeye Name: 7-(6-quinolylmethylamino)-2-[3-tetrahydrofuran-3-yloxy-5-(trifluoromethyl)phenyl]isoindolin-1-one CAS Name: 2-[3-(3-oxolanyloxy)-5-(trifluoromethyl)phenyl]-7-(6-quinolinylmethylamino)-3H-isoindol-1-one IUPAC Name: 2-[3-(oxolan-3-yloxy)-5-(trifluoromethyl)phenyl]-7-(quinolin-6-ylmethylamino)-3H-isoindol-1-one Traditional Name: 7-(6-quinolylmethylamino)-2-[3-tetrahydrofuran-3-yloxy-5-(trifluoromethyl)phenyl]isoindolin-1-one Formula: C29H24F3N3O3 MolecularWeight: 519.51437

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1OC2=CC(=CC(=C2)N3CC4=C(C3=O)C(=CC=C4)NCC5=CC6=C(C=C5)N=CC=C6)C(F)(F)F

Isomeric SMILES

C1COCC1OC2=CC(=CC(=C2)N3CC4=C(C3=O)C(=CC=C4)NCC5=CC6=C(C=C5)N=CC=C6)C(F)(F)F

InChI

InChI=1S/C29H24F3N3O3/c30-29(31,32)21-12-22(14-24(13-21)38-23-8-10-37-17-23)35-16-20-3-1-5-26(27(20)28(35)36)34-15-18-6-7-25-19(11-18)4-2-9-33-25/h1-7,9,11-14,23,34H,8,10,15-17H2