1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-7-(4-methylphenoxy)-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-7-(4-methylphenoxy)-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-7-(4-methylphenoxy)isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-7-(4-methylphenoxy)-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-7-(4-methylphenoxy)isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-[3-methoxy-4-(4-methylphenoxy)benzyl]-7-(4-methylphenoxy)isoquinoline-1-carbonitrile Formula: C39H32N2O4 MolecularWeight: 592.68238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC3=C(C=C2)C=CN(C3(CC4=CC(=C(C=C4)OC5=CC=C(C=C5)C)OC)C#N)C(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC3=C(C=C2)C=CN(C3(CC4=CC(=C(C=C4)OC5=CC=C(C=C5)C)OC)C#N)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C39H32N2O4/c1-27-9-15-32(16-10-27)44-34-19-14-30-21-22-41(38(42)31-7-5-4-6-8-31)39(26-40,35(30)24-34)25-29-13-20-36(37(23-29)43-3)45-33-17-11-28(2)12-18-33/h4-24H,25H2,1-3H3