1-[[2,5-bis(bromanyl)thiophen-3-yl]methyl]-6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline

Systemtic Name: 1-[[2,5-bis(bromanyl)thiophen-3-yl]methyl]-6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline Openeye Name: 7-benzyloxy-1-[(2,5-dibromo-3-thienyl)methyl]-6-methoxy-3,4-dihydroisoquinoline CAS Name: 1-[(2,5-dibromo-3-thiophenyl)methyl]-6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline IUPAC Name: 1-[(2,5-dibromothiophen-3-yl)methyl]-6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline Traditional Name: 7-benzoxy-1-[(2,5-dibromo-3-thienyl)methyl]-6-methoxy-3,4-dihydroisoquinoline Formula: C22H19Br2NO2S MolecularWeight: 521.26476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2CC3=C(SC(=C3)Br)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2CC3=C(SC(=C3)Br)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C22H19Br2NO2S/c1-26-19-10-15-7-8-25-18(9-16-11-21(23)28-22(16)24)17(15)12-20(19)27-13-14-5-3-2-4-6-14/h2-6,10-12H,7-9,13H2,1H3