5-(1-adamantyl)-2-[3-(trifluoromethyl)phenyl]isoindole-1,3-dione

Systemtic Name: 5-(1-adamantyl)-2-[3-(trifluoromethyl)phenyl]isoindole-1,3-dione Openeye Name: 5-(1-adamantyl)-2-[3-(trifluoromethyl)phenyl]isoindoline-1,3-dione CAS Name: 5-(1-adamantyl)-2-[3-(trifluoromethyl)phenyl]isoindole-1,3-dione IUPAC Name: 5-(1-adamantyl)-2-[3-(trifluoromethyl)phenyl]isoindole-1,3-dione Traditional Name: 5-(1-adamantyl)-2-[3-(trifluoromethyl)phenyl]isoindoline-1,3-quinone Formula: C25H22F3NO2 MolecularWeight: 425.44289

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=CC(=C6)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=CC(=C6)C(F)(F)F

InChI

InChI=1S/C25H22F3NO2/c26-25(27,28)18-2-1-3-19(9-18)29-22(30)20-5-4-17(10-21(20)23(29)31)24-11-14-6-15(12-24)8-16(7-14)13-24/h1-5,9-10,14-16H,6-8,11-13H2