6-methoxy-7-(4-methylphenoxy)-2-(phenylcarbonyl)-1H-isoquinoline-1-carbonitrile

Systemtic Name: 6-methoxy-7-(4-methylphenoxy)-2-(phenylcarbonyl)-1H-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-6-methoxy-7-(4-methylphenoxy)-1H-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-6-methoxy-7-(4-methylphenoxy)-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-benzoyl-6-methoxy-7-(4-methylphenoxy)-1H-isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-6-methoxy-7-(4-methylphenoxy)-1H-isoquinoline-1-carbonitrile Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=C3C=CN(C(C3=C2)C#N)C(=O)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C3C=CN(C(C3=C2)C#N)C(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H20N2O3/c1-17-8-10-20(11-9-17)30-24-15-21-19(14-23(24)29-2)12-13-27(22(21)16-26)25(28)18-6-4-3-5-7-18/h3-15,22H,1-2H3