1-[(E)-4-[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]but-2-enyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 1-[(E)-4-[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]but-2-enyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-[(E)-4-(2-benzoyl-1-cyano-1-isoquinolyl)but-2-enyl]isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[(E)-4-(2-benzoyl-1-cyano-1-isoquinolinyl)but-2-enyl]-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[(E)-4-(2-benzoyl-1-cyanoisoquinolin-1-yl)but-2-enyl]isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-[(E)-4-(2-benzoyl-1-cyano-1-isoquinolyl)but-2-enyl]isoquinoline-1-carbonitrile Formula: C38H28N4O2 MolecularWeight: 572.65452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CC=CCC4(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(C/C=C/CC4(C5=CC=CC=C5C=CN4C(=O)C6=CC=CC=C6)C#N)C#N

InChI

InChI=1S/C38H28N4O2/c39-27-37(33-19-9-7-13-29(33)21-25-41(37)35(43)31-15-3-1-4-16-31)23-11-12-24-38(28-40)34-20-10-8-14-30(34)22-26-42(38)36(44)32-17-5-2-6-18-32/h1-22,25-26H,23-24H2/b12-11+