5-(4-methylphenoxy)-2-(3-quinoxalin-2-ylphenyl)isoindole-1,3-dione

Systemtic Name: 5-(4-methylphenoxy)-2-(3-quinoxalin-2-ylphenyl)isoindole-1,3-dione Openeye Name: 5-(4-methylphenoxy)-2-(3-quinoxalin-2-ylphenyl)isoindoline-1,3-dione CAS Name: 5-(4-methylphenoxy)-2-[3-(2-quinoxalinyl)phenyl]isoindole-1,3-dione IUPAC Name: 5-(4-methylphenoxy)-2-(3-quinoxalin-2-ylphenyl)isoindole-1,3-dione Traditional Name: 5-(4-methylphenoxy)-2-(3-quinoxalin-2-ylphenyl)isoindoline-1,3-quinone Formula: C29H19N3O3 MolecularWeight: 457.47946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC(=C4)C5=NC6=CC=CC=C6N=C5

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC(=C4)C5=NC6=CC=CC=C6N=C5

InChI

InChI=1S/C29H19N3O3/c1-18-9-11-21(12-10-18)35-22-13-14-23-24(16-22)29(34)32(28(23)33)20-6-4-5-19(15-20)27-17-30-25-7-2-3-8-26(25)31-27/h2-17H,1H3