2-[(2-bromanyl-5-methoxy-phenyl)methyl]-6,7-dimethoxy-1-(2-phenylethynyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(2-bromanyl-5-methoxy-phenyl)methyl]-6,7-dimethoxy-1-(2-phenylethynyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(2-bromo-5-methoxy-phenyl)methyl]-6,7-dimethoxy-1-(2-phenylethynyl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(2-bromo-5-methoxyphenyl)methyl]-6,7-dimethoxy-1-(2-phenylethynyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(2-bromo-5-methoxyphenyl)methyl]-6,7-dimethoxy-1-(2-phenylethynyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(2-bromo-5-methoxy-benzyl)-6,7-dimethoxy-1-(2-phenylethynyl)-3,4-dihydro-1H-isoquinoline Formula: C27H26BrNO3 MolecularWeight: 492.40424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CN2CCC3=CC(=C(C=C3C2C#CC4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CN2CCC3=CC(=C(C=C3C2C#CC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H26BrNO3/c1-30-22-10-11-24(28)21(15-22)18-29-14-13-20-16-26(31-2)27(32-3)17-23(20)25(29)12-9-19-7-5-4-6-8-19/h4-8,10-11,15-17,25H,13-14,18H2,1-3H3