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

Systemtic Name: 5-(1-adamantyl)-2-(4-propan-2-ylphenyl)isoindole-1,3-dione Openeye Name: 5-(1-adamantyl)-2-(4-isopropylphenyl)isoindoline-1,3-dione CAS Name: 5-(1-adamantyl)-2-(4-propan-2-ylphenyl)isoindole-1,3-dione IUPAC Name: 5-(1-adamantyl)-2-(4-propan-2-ylphenyl)isoindole-1,3-dione Traditional Name: 5-(1-adamantyl)-2-p-cumenyl-isoindoline-1,3-quinone Formula: C27H29NO2 MolecularWeight: 399.52466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO2/c1-16(2)20-3-6-22(7-4-20)28-25(29)23-8-5-21(12-24(23)26(28)30)27-13-17-9-18(14-27)11-19(10-17)15-27/h3-8,12,16-19H,9-11,13-15H2,1-2H3