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

Systemtic Name: 5-bromanyl-2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyl]isoindoline-1,3-quinone Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H19BrN2O3/c22-16-7-8-17-18(12-16)21(27)24(20(17)26)10-3-6-19(25)23-11-9-14-4-1-2-5-15(14)13-23/h1-2,4-5,7-8,12H,3,6,9-11,13H2