1-[6-[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]hexyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 1-[6-[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]hexyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-[6-(2-benzoyl-1-cyano-1-isoquinolyl)hexyl]isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[6-(2-benzoyl-1-cyano-1-isoquinolinyl)hexyl]-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[6-(2-benzoyl-1-cyanoisoquinolin-1-yl)hexyl]isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-[6-(2-benzoyl-1-cyano-1-isoquinolyl)hexyl]isoquinoline-1-carbonitrile Formula: C40H34N4O2 MolecularWeight: 602.72356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CCCCCCC4(C5=CC=CC=C5C=CN4C(=O)C6=CC=CC=C6)C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CCCCCCC4(C5=CC=CC=C5C=CN4C(=O)C6=CC=CC=C6)C#N)C#N

InChI

InChI=1S/C40H34N4O2/c41-29-39(35-21-11-9-15-31(35)23-27-43(39)37(45)33-17-5-3-6-18-33)25-13-1-2-14-26-40(30-42)36-22-12-10-16-32(36)24-28-44(40)38(46)34-19-7-4-8-20-34/h3-12,15-24,27-28H,1-2,13-14,25-26H2