5-(1-adamantyl)-2-(phenylmethyl)isoindole-1,3-dione

Systemtic Name: 5-(1-adamantyl)-2-(phenylmethyl)isoindole-1,3-dione Openeye Name: 5-(1-adamantyl)-2-benzyl-isoindoline-1,3-dione CAS Name: 5-(1-adamantyl)-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 5-(1-adamantyl)-2-benzylisoindole-1,3-dione Traditional Name: 5-(1-adamantyl)-2-benzyl-isoindoline-1,3-quinone Formula: C25H25NO2 MolecularWeight: 371.4715

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)C(=O)N(C5=O)CC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)C(=O)N(C5=O)CC6=CC=CC=C6

InChI

InChI=1S/C25H25NO2/c27-23-21-7-6-20(25-12-17-8-18(13-25)10-19(9-17)14-25)11-22(21)24(28)26(23)15-16-4-2-1-3-5-16/h1-7,11,17-19H,8-10,12-15H2