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

Systemtic Name: 1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-2-(phenylcarbonyl)phthalazine-1-carbonitrile Openeye Name: 2-benzoyl-1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]phthalazine-1-carbonitrile CAS Name: 2-benzoyl-1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-1-phthalazinecarbonitrile IUPAC Name: 2-benzoyl-1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]phthalazine-1-carbonitrile Traditional Name: 2-benzoyl-1-[3-methoxy-4-(4-methylphenoxy)benzyl]phthalazine-1-carbonitrile Formula: C31H25N3O3 MolecularWeight: 487.5485

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)CC3(C4=CC=CC=C4C=NN3C(=O)C5=CC=CC=C5)C#N)OC

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)CC3(C4=CC=CC=C4C=NN3C(=O)C5=CC=CC=C5)C#N)OC

InChI

InChI=1S/C31H25N3O3/c1-22-12-15-26(16-13-22)37-28-17-14-23(18-29(28)36-2)19-31(21-32)27-11-7-6-10-25(27)20-33-34(31)30(35)24-8-4-3-5-9-24/h3-18,20H,19H2,1-2H3