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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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