1-[5-bromanyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]phenyl]propan-1-one

Systemtic Name: 1-[5-bromanyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]phenyl]propan-1-one Openeye Name: 1-[5-bromo-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]phenyl]propan-1-one CAS Name: 1-[5-bromo-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]-1-propanone IUPAC Name: 1-[5-bromo-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]propan-1-one Traditional Name: 1-[5-bromo-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]phenyl]propan-1-one Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)Br)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)Br)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H20BrNO3/c1-2-18(23)17-11-16(21)7-8-19(17)25-13-20(24)22-10-9-14-5-3-4-6-15(14)12-22/h3-8,11H,2,9-10,12-13H2,1H3