2-(3-aminophenyl)-4-(2-phenylethynyl)isoindole-1,3-dione

Systemtic Name: 2-(3-aminophenyl)-4-(2-phenylethynyl)isoindole-1,3-dione Openeye Name: 2-(3-aminophenyl)-4-(2-phenylethynyl)isoindoline-1,3-dione CAS Name: 2-(3-aminophenyl)-4-(2-phenylethynyl)isoindole-1,3-dione IUPAC Name: 2-(3-aminophenyl)-4-(2-phenylethynyl)isoindole-1,3-dione Traditional Name: 2-(3-aminophenyl)-4-(2-phenylethynyl)isoindoline-1,3-quinone Formula: C22H14N2O2 MolecularWeight: 338.35876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=C3C(=CC=C2)C(=O)N(C3=O)C4=CC(=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=C3C(=CC=C2)C(=O)N(C3=O)C4=CC(=CC=C4)N

InChI

InChI=1S/C22H14N2O2/c23-17-9-5-10-18(14-17)24-21(25)19-11-4-8-16(20(19)22(24)26)13-12-15-6-2-1-3-7-15/h1-11,14H,23H2