2-[[[5-(1-adamantyl)-2,3-dimethyl-phenyl]amino]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[[5-(1-adamantyl)-2,3-dimethyl-phenyl]amino]methyl]isoindole-1,3-dione Openeye Name: 2-[[5-(1-adamantyl)-2,3-dimethyl-anilino]methyl]isoindoline-1,3-dione CAS Name: 2-[[5-(1-adamantyl)-2,3-dimethylanilino]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(1-adamantyl)-2,3-dimethylanilino]methyl]isoindole-1,3-dione Traditional Name: 2-[[5-(1-adamantyl)-2,3-dimethyl-anilino]methyl]isoindoline-1,3-quinone Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C23CC4CC(C2)CC(C4)C3)NCN5C(=O)C6=CC=CC=C6C5=O)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C23CC4CC(C2)CC(C4)C3)NCN5C(=O)C6=CC=CC=C6C5=O)C

InChI

InChI=1S/C27H30N2O2/c1-16-7-21(27-12-18-8-19(13-27)10-20(9-18)14-27)11-24(17(16)2)28-15-29-25(30)22-5-3-4-6-23(22)26(29)31/h3-7,11,18-20,28H,8-10,12-15H2,1-2H3