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

Systemtic Name: 5-(1-adamantyl)-2-(3-fluoranyl-4-methyl-phenyl)isoindole-1,3-dione Openeye Name: 5-(1-adamantyl)-2-(3-fluoro-4-methyl-phenyl)isoindoline-1,3-dione CAS Name: 5-(1-adamantyl)-2-(3-fluoro-4-methylphenyl)isoindole-1,3-dione IUPAC Name: 5-(1-adamantyl)-2-(3-fluoro-4-methylphenyl)isoindole-1,3-dione Traditional Name: 5-(1-adamantyl)-2-(3-fluoro-4-methyl-phenyl)isoindoline-1,3-quinone Formula: C25H24FNO2 MolecularWeight: 389.461963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5)F

InChI

InChI=1S/C25H24FNO2/c1-14-2-4-19(10-22(14)26)27-23(28)20-5-3-18(9-21(20)24(27)29)25-11-15-6-16(12-25)8-17(7-15)13-25/h2-5,9-10,15-17H,6-8,11-13H2,1H3