1-[3-[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]propyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 1-[3-[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]propyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-[3-(2-benzoyl-1-cyano-1-isoquinolyl)propyl]isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[3-(2-benzoyl-1-cyano-1-isoquinolinyl)propyl]-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[3-(2-benzoyl-1-cyanoisoquinolin-1-yl)propyl]isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-[3-(2-benzoyl-1-cyano-1-isoquinolyl)propyl]isoquinoline-1-carbonitrile Formula: C37H28N4O2 MolecularWeight: 560.64382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CCCC4(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(CCCC4(C5=CC=CC=C5C=CN4C(=O)C6=CC=CC=C6)C#N)C#N

InChI

InChI=1S/C37H28N4O2/c38-26-36(32-18-9-7-12-28(32)20-24-40(36)34(42)30-14-3-1-4-15-30)22-11-23-37(27-39)33-19-10-8-13-29(33)21-25-41(37)35(43)31-16-5-2-6-17-31/h1-10,12-21,24-25H,11,22-23H2