5-(1-adamantyl)-2-(3-chloranyl-4-fluoranyl-phenyl)isoindole-1,3-dione

Systemtic Name: 5-(1-adamantyl)-2-(3-chloranyl-4-fluoranyl-phenyl)isoindole-1,3-dione Openeye Name: 5-(1-adamantyl)-2-(3-chloro-4-fluoro-phenyl)isoindoline-1,3-dione CAS Name: 5-(1-adamantyl)-2-(3-chloro-4-fluorophenyl)isoindole-1,3-dione IUPAC Name: 5-(1-adamantyl)-2-(3-chloro-4-fluorophenyl)isoindole-1,3-dione Traditional Name: 5-(1-adamantyl)-2-(3-chloro-4-fluoro-phenyl)isoindoline-1,3-quinone Formula: C24H21ClFNO2 MolecularWeight: 409.880443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClFNO2/c25-20-9-17(2-4-21(20)26)27-22(28)18-3-1-16(8-19(18)23(27)29)24-10-13-5-14(11-24)7-15(6-13)12-24/h1-4,8-9,13-15H,5-7,10-12H2