2-(1-adamantyl)-4,7a-bis(trifluoromethyl)-1H-isoindole

Systemtic Name: 2-(1-adamantyl)-4,7a-bis(trifluoromethyl)-1H-isoindole Openeye Name: 2-(1-adamantyl)-4,7a-bis(trifluoromethyl)-1H-isoindole CAS Name: 2-(1-adamantyl)-4,7a-bis(trifluoromethyl)-1H-isoindole IUPAC Name: 2-(1-adamantyl)-4,7a-bis(trifluoromethyl)-1H-isoindole Traditional Name: 2-(1-adamantyl)-4,7a-bis(trifluoromethyl)-1H-isoindole Formula: C20H21F6N MolecularWeight: 389.377859

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4CC5(C=CC=C(C5=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4CC5(C=CC=C(C5=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H21F6N/c21-19(22,23)15-2-1-3-18(20(24,25)26)11-27(10-16(15)18)17-7-12-4-13(8-17)6-14(5-12)9-17/h1-3,10,12-14H,4-9,11H2