(2S)-2-(2-bromanyl-4-chloranyl-phenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: (2S)-2-(2-bromanyl-4-chloranyl-phenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: (2S)-2-(2-bromo-4-chloro-phenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: (2S)-2-(2-bromo-4-chlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: (2S)-2-(2-bromo-4-chlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: (2S)-2-(2-bromo-4-chloro-phenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C18H17BrClNO2 MolecularWeight: 394.69008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)OC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C18H17BrClNO2/c1-12(23-17-7-6-15(20)10-16(17)19)18(22)21-9-8-13-4-2-3-5-14(13)11-21/h2-7,10,12H,8-9,11H2,1H3/t12-/m0/s1