5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-phenethyl-isoindole-1,3-dione

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-phenethyl-isoindole-1,3-dione Openeye Name: 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-phenethyl-isoindoline-1,3-dione CAS Name: 5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-phenethylisoindole-1,3-dione IUPAC Name: 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-phenethylisoindole-1,3-dione Traditional Name: 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-phenethyl-isoindoline-1,3-quinone Formula: C26H22N2O3 MolecularWeight: 410.46448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

InChI

InChI=1S/C26H22N2O3/c29-24(27-14-13-19-8-4-5-9-21(19)17-27)20-10-11-22-23(16-20)26(31)28(25(22)30)15-12-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2