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

Systemtic Name: 2-[[2-(3-chloranylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(3-chloroquinoxalin-2-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(3-chloro-2-quinoxalinyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(3-chloroquinoxalin-2-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(3-chloroquinoxalin-2-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C26H19ClN4O2 MolecularWeight: 454.90766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)C5=NC6=CC=CC=C6N=C5Cl

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)C5=NC6=CC=CC=C6N=C5Cl

InChI

InChI=1S/C26H19ClN4O2/c27-23-24(29-21-12-6-5-11-20(21)28-23)30-14-13-16-7-1-2-8-17(16)22(30)15-31-25(32)18-9-3-4-10-19(18)26(31)33/h1-12,22H,13-15H2