1-[[3-[3-[[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 1-[[3-[3-[[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-[[3-[3-[(2-benzoyl-1-cyano-1-isoquinolyl)methyl]phenoxy]phenyl]methyl]isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[[3-[3-[(2-benzoyl-1-cyano-1-isoquinolinyl)methyl]phenoxy]phenyl]methyl]-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[[3-[3-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]phenoxy]phenyl]methyl]isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-[3-[3-[(2-benzoyl-1-cyano-1-isoquinolyl)methyl]phenoxy]benzyl]isoquinoline-1-carbonitrile Formula: C48H34N4O3 MolecularWeight: 714.80856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CC4=CC(=CC=C4)OC5=CC=CC(=C5)CC6(C7=CC=CC=C7C=CN6C(=O)C8=CC=CC=C8)C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CC4=CC(=CC=C4)OC5=CC=CC(=C5)CC6(C7=CC=CC=C7C=CN6C(=O)C8=CC=CC=C8)C#N)C#N

InChI

InChI=1S/C48H34N4O3/c49-33-47(43-23-9-7-15-37(43)25-27-51(47)45(53)39-17-3-1-4-18-39)31-35-13-11-21-41(29-35)55-42-22-12-14-36(30-42)32-48(34-50)44-24-10-8-16-38(44)26-28-52(48)46(54)40-19-5-2-6-20-40/h1-30H,31-32H2