2-[3-(4-phenyl-3H-isoquinolin-4-yl)propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(4-phenyl-3H-isoquinolin-4-yl)propyl]isoindole-1,3-dione Openeye Name: 2-[3-(4-phenyl-3H-isoquinolin-4-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-(4-phenyl-3H-isoquinolin-4-yl)propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(4-phenyl-3H-isoquinolin-4-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-phenyl-3H-isoquinolin-4-yl)propyl]isoindoline-1,3-quinone Formula: C26H22N2O2 MolecularWeight: 394.46508

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2C=N1)(CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1C(C2=CC=CC=C2C=N1)(CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C26H22N2O2/c29-24-21-12-5-6-13-22(21)25(30)28(24)16-8-15-26(20-10-2-1-3-11-20)18-27-17-19-9-4-7-14-23(19)26/h1-7,9-14,17H,8,15-16,18H2