2-[[2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-[2-(1H-indol-3-yl)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[2-(1H-indol-3-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-[2-(1H-indol-3-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-[2-(1H-indol-3-yl)-2-keto-ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C28H23N3O3 MolecularWeight: 449.50052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)CC(=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)CC(=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C28H23N3O3/c32-26(23-15-29-24-12-6-5-9-20(23)24)17-30-14-13-18-7-1-2-8-19(18)25(30)16-31-27(33)21-10-3-4-11-22(21)28(31)34/h1-12,15,25,29H,13-14,16-17H2