1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-5-(4-methylphenoxy)-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-5-(4-methylphenoxy)-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-5-(4-methylphenoxy)isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-5-(4-methylphenoxy)-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-5-(4-methylphenoxy)isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-[3-methoxy-4-(4-methylphenoxy)benzyl]-5-(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=C(C=C(C=C2)CC3(C4=C(C=CN3C(=O)C5=CC=CC=C5)C(=CC=C4)OC6=CC=C(C=C6)C)C#N)OC

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)CC3(C4=C(C=CN3C(=O)C5=CC=CC=C5)C(=CC=C4)OC6=CC=C(C=C6)C)C#N)OC

InChI

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