1-[[4-[4-[[1-cyano-7-methoxy-2-(phenylcarbonyl)isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-7-methoxy-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 1-[[4-[4-[[1-cyano-7-methoxy-2-(phenylcarbonyl)isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-7-methoxy-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-[[4-[4-[(2-benzoyl-1-cyano-7-methoxy-1-isoquinolyl)methyl]phenoxy]phenyl]methyl]-7-methoxy-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[[4-[4-[(2-benzoyl-1-cyano-7-methoxy-1-isoquinolinyl)methyl]phenoxy]phenyl]methyl]-7-methoxy-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[[4-[4-[(2-benzoyl-1-cyano-7-methoxyisoquinolin-1-yl)methyl]phenoxy]phenyl]methyl]-7-methoxyisoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-[4-[4-[(2-benzoyl-1-cyano-7-methoxy-1-isoquinolyl)methyl]phenoxy]benzyl]-7-methoxy-isoquinoline-1-carbonitrile Formula: C50H38N4O5 MolecularWeight: 774.86052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CN(C2(CC3=CC=C(C=C3)OC4=CC=C(C=C4)CC5(C6=C(C=CC(=C6)OC)C=CN5C(=O)C7=CC=CC=C7)C#N)C#N)C(=O)C8=CC=CC=C8

Isomeric SMILES

COC1=CC2=C(C=C1)C=CN(C2(CC3=CC=C(C=C3)OC4=CC=C(C=C4)CC5(C6=C(C=CC(=C6)OC)C=CN5C(=O)C7=CC=CC=C7)C#N)C#N)C(=O)C8=CC=CC=C8

InChI

InChI=1S/C50H38N4O5/c1-57-43-23-17-37-25-27-53(47(55)39-9-5-3-6-10-39)49(33-51,45(37)29-43)31-35-13-19-41(20-14-35)59-42-21-15-36(16-22-42)32-50(34-52)46-30-44(58-2)24-18-38(46)26-28-54(50)48(56)40-11-7-4-8-12-40/h3-30H,31-32H2,1-2H3