1-(5-bromanylthiophen-2-yl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 7-benzyloxy-1-(5-bromo-2-thienyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-(5-bromo-2-thiophenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-(5-bromothiophen-2-yl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 7-benzoxy-1-(5-bromo-2-thienyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline Formula: C21H20BrNO2S MolecularWeight: 430.358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)C3=CC=C(S3)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C2C(NCCC2=C1)C3=CC=C(S3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C21H20BrNO2S/c1-24-17-11-15-9-10-23-21(19-7-8-20(22)26-19)16(15)12-18(17)25-13-14-5-3-2-4-6-14/h2-8,11-12,21,23H,9-10,13H2,1H3