1-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-2-(phenylcarbonyl)-8-phenylmethoxy-isoquinoline-1-carbonitrile

Systemtic Name: 1-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-2-(phenylcarbonyl)-8-phenylmethoxy-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-8-benzyloxy-1-[(3-bromo-4,5-dimethoxy-phenyl)methyl]-7-methoxy-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[(3-bromo-4,5-dimethoxyphenyl)methyl]-7-methoxy-8-phenylmethoxy-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[(3-bromo-4,5-dimethoxyphenyl)methyl]-7-methoxy-8-phenylmethoxyisoquinoline-1-carbonitrile Traditional Name: 8-benzoxy-2-benzoyl-1-(3-bromo-4,5-dimethoxy-benzyl)-7-methoxy-isoquinoline-1-carbonitrile Formula: C34H29BrN2O5 MolecularWeight: 625.50846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=CN(C2(CC3=CC(=C(C(=C3)Br)OC)OC)C#N)C(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C2=C(C=C1)C=CN(C2(CC3=CC(=C(C(=C3)Br)OC)OC)C#N)C(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C34H29BrN2O5/c1-39-28-15-14-25-16-17-37(33(38)26-12-8-5-9-13-26)34(22-36,20-24-18-27(35)31(41-3)29(19-24)40-2)30(25)32(28)42-21-23-10-6-4-7-11-23/h4-19H,20-21H2,1-3H3