2-[4-(7-bromanyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(7-bromanyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)butyl]isoindoline-1,3-quinone Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)Br)CCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)Br)CCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21BrN2O2/c22-17-8-7-15-9-12-23(14-16(15)13-17)10-3-4-11-24-20(25)18-5-1-2-6-19(18)21(24)26/h1-2,5-8,13H,3-4,9-12,14H2