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

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-(phenylmethyl)isoindole-1,3-dione Openeye Name: 2-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)isoindoline-1,3-dione CAS Name: 5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 2-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)isoindole-1,3-dione Traditional Name: 2-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)isoindoline-1,3-quinone Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H20N2O3/c28-23(26-13-12-18-8-4-5-9-20(18)16-26)19-10-11-21-22(14-19)25(30)27(24(21)29)15-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2