3-(1-adamantyl)-1,1,1-tris(fluoranyl)-4-oxidanyl-4-(4-pyrrol-1-ylphenyl)but-3-en-2-one

Systemtic Name: 3-(1-adamantyl)-1,1,1-tris(fluoranyl)-4-oxidanyl-4-(4-pyrrol-1-ylphenyl)but-3-en-2-one Openeye Name: 3-(1-adamantyl)-1,1,1-trifluoro-4-hydroxy-4-(4-pyrrol-1-ylphenyl)but-3-en-2-one CAS Name: 3-(1-adamantyl)-1,1,1-trifluoro-4-hydroxy-4-[4-(1-pyrrolyl)phenyl]-3-buten-2-one IUPAC Name: 3-(1-adamantyl)-1,1,1-trifluoro-4-hydroxy-4-(4-pyrrol-1-ylphenyl)but-3-en-2-one Traditional Name: 3-(1-adamantyl)-1,1,1-trifluoro-4-hydroxy-4-(4-pyrrol-1-ylphenyl)but-3-en-2-one Formula: C24H24F3NO2 MolecularWeight: 415.44807

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=C(C4=CC=C(C=C4)N5C=CC=C5)O)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/h1-8,15-17,29H,9-14H2