5-(1-adamantyl)-2-(4-bromophenyl)isoindole-1,3-dione

Systemtic Name: 5-(1-adamantyl)-2-(4-bromophenyl)isoindole-1,3-dione Openeye Name: 5-(1-adamantyl)-2-(4-bromophenyl)isoindoline-1,3-dione CAS Name: 5-(1-adamantyl)-2-(4-bromophenyl)isoindole-1,3-dione IUPAC Name: 5-(1-adamantyl)-2-(4-bromophenyl)isoindole-1,3-dione Traditional Name: 5-(1-adamantyl)-2-(4-bromophenyl)isoindoline-1,3-quinone Formula: C24H22BrNO2 MolecularWeight: 436.34098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrNO2/c25-18-2-4-19(5-3-18)26-22(27)20-6-1-17(10-21(20)23(26)28)24-11-14-7-15(12-24)9-16(8-14)13-24/h1-6,10,14-16H,7-9,11-13H2