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

Systemtic Name: 5-(1-adamantyl)-2-(4-bromanyl-3-methyl-phenyl)isoindole-1,3-dione Openeye Name: 5-(1-adamantyl)-2-(4-bromo-3-methyl-phenyl)isoindoline-1,3-dione CAS Name: 5-(1-adamantyl)-2-(4-bromo-3-methylphenyl)isoindole-1,3-dione IUPAC Name: 5-(1-adamantyl)-2-(4-bromo-3-methylphenyl)isoindole-1,3-dione Traditional Name: 5-(1-adamantyl)-2-(4-bromo-3-methyl-phenyl)isoindoline-1,3-quinone Formula: C25H24BrNO2 MolecularWeight: 450.36756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrNO2/c1-14-6-19(3-5-22(14)26)27-23(28)20-4-2-18(10-21(20)24(27)29)25-11-15-7-16(12-25)9-17(8-15)13-25/h2-6,10,15-17H,7-9,11-13H2,1H3