1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-[(3,4-dibenzyloxyphenyl)methyl]isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[[3,4-bis(phenylmethoxy)phenyl]methyl]isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-(3,4-dibenzoxybenzyl)isoquinoline-1-carbonitrile Formula: C38H30N2O3 MolecularWeight: 562.6564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3(C4=CC=CC=C4C=CN3C(=O)C5=CC=CC=C5)C#N)OCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3(C4=CC=CC=C4C=CN3C(=O)C5=CC=CC=C5)C#N)OCC6=CC=CC=C6

InChI

InChI=1S/C38H30N2O3/c39-28-38(34-19-11-10-16-32(34)22-23-40(38)37(41)33-17-8-3-9-18-33)25-31-20-21-35(42-26-29-12-4-1-5-13-29)36(24-31)43-27-30-14-6-2-7-15-30/h1-24H,25-27H2