2-[[5-bromanyl-2-[(4-chloranylphenoxy)methyl]-1-benzothiophen-3-yl]methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[[5-bromanyl-2-[(4-chloranylphenoxy)methyl]-1-benzothiophen-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[[5-bromo-2-[(4-chlorophenoxy)methyl]benzothiophen-3-yl]methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[5-bromo-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl]methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[[5-bromo-2-[(4-chlorophenoxy)methyl]-1-benzothiophen-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[[5-bromo-2-[(4-chlorophenoxy)methyl]benzothiophen-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Formula: C25H21BrClNOS MolecularWeight: 498.86234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=C(SC4=C3C=C(C=C4)Br)COC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=C(SC4=C3C=C(C=C4)Br)COC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H21BrClNOS/c26-19-5-10-24-22(13-19)23(15-28-12-11-17-3-1-2-4-18(17)14-28)25(30-24)16-29-21-8-6-20(27)7-9-21/h1-10,13H,11-12,14-16H2