2-(1-adamantyl)-4,4,4-tris(fluoranyl)-1-(4-pyrrol-1-ylphenyl)butane-1,3-dione

Systemtic Name: 2-(1-adamantyl)-4,4,4-tris(fluoranyl)-1-(4-pyrrol-1-ylphenyl)butane-1,3-dione Openeye Name: 2-(1-adamantyl)-4,4,4-trifluoro-1-(4-pyrrol-1-ylphenyl)butane-1,3-dione CAS Name: 2-(1-adamantyl)-4,4,4-trifluoro-1-[4-(1-pyrrolyl)phenyl]butane-1,3-dione IUPAC Name: 2-(1-adamantyl)-4,4,4-trifluoro-1-(4-pyrrol-1-ylphenyl)butane-1,3-dione Traditional Name: 2-(1-adamantyl)-4,4,4-trifluoro-1-(4-pyrrol-1-ylphenyl)butane-1,3-dione Formula: C24H24F3NO2 MolecularWeight: 415.44807

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(C(=O)C4=CC=C(C=C4)N5C=CC=C5)C(=O)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(C(=O)C4=CC=C(C=C4)N5C=CC=C5)C(=O)C(F)(F)F

InChI

InChI=1S/C24H24F3NO2/c25-24(26,27)22(30)20(23-12-15-9-16(13-23)11-17(10-15)14-23)21(29)18-3-5-19(6-4-18)28-7-1-2-8-28/h1-8,15-17,20H,9-14H2