1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-7-methoxy-2-(phenylcarbonyl)-8-phenylmethoxy-isoquinoline-1-carbonitrile

Systemtic Name: 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-7-methoxy-2-(phenylcarbonyl)-8-phenylmethoxy-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-8-benzyloxy-1-[(3,4-dibenzyloxyphenyl)methyl]-7-methoxy-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-7-methoxy-8-phenylmethoxy-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-7-methoxy-8-phenylmethoxyisoquinoline-1-carbonitrile Traditional Name: 8-benzoxy-2-benzoyl-1-(3,4-dibenzoxybenzyl)-7-methoxy-isoquinoline-1-carbonitrile Formula: C46H38N2O5 MolecularWeight: 698.80432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=CN(C2(CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C#N)C(=O)C6=CC=CC=C6)OCC7=CC=CC=C7

Isomeric SMILES

COC1=C(C2=C(C=C1)C=CN(C2(CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C#N)C(=O)C6=CC=CC=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C46H38N2O5/c1-50-41-25-23-38-26-27-48(45(49)39-20-12-5-13-21-39)46(33-47,43(38)44(41)53-32-36-18-10-4-11-19-36)29-37-22-24-40(51-30-34-14-6-2-7-15-34)42(28-37)52-31-35-16-8-3-9-17-35/h2-28H,29-32H2,1H3