2-methyl-5-[2-[3-(2-phenylethynyl)phenyl]propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-methyl-5-[2-[3-(2-phenylethynyl)phenyl]propan-2-yl]isoindole-1,3-dione Openeye Name: 2-methyl-5-[1-methyl-1-[3-(2-phenylethynyl)phenyl]ethyl]isoindoline-1,3-dione CAS Name: 2-methyl-5-[2-[3-(2-phenylethynyl)phenyl]propan-2-yl]isoindole-1,3-dione IUPAC Name: 2-methyl-5-[2-[3-(2-phenylethynyl)phenyl]propan-2-yl]isoindole-1,3-dione Traditional Name: 2-methyl-5-[1-methyl-1-[3-(2-phenylethynyl)phenyl]ethyl]isoindoline-1,3-quinone Formula: C26H21NO2 MolecularWeight: 379.45044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=C(C=C1)C(=O)N(C2=O)C)C3=CC=CC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C1=CC2=C(C=C1)C(=O)N(C2=O)C)C3=CC=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H21NO2/c1-26(2,21-14-15-22-23(17-21)25(29)27(3)24(22)28)20-11-7-10-19(16-20)13-12-18-8-5-4-6-9-18/h4-11,14-17H,1-3H3