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

Systemtic Name: 2-[[2-(4-bromanylthiophen-2-yl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(4-bromothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[(4-bromo-2-thiophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(4-bromothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(4-bromothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C23H17BrN2O3S MolecularWeight: 481.36168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)C5=CC(=CS5)Br

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)C5=CC(=CS5)Br

InChI

InChI=1S/C23H17BrN2O3S/c24-15-11-20(30-13-15)23(29)25-10-9-14-5-1-2-6-16(14)19(25)12-26-21(27)17-7-3-4-8-18(17)22(26)28/h1-8,11,13,19H,9-10,12H2