3-(4-methylphenyl)-4-oxidanylidene-1,1-diphenyl-isoquinoline-7-carbonitrile

Systemtic Name: 3-(4-methylphenyl)-4-oxidanylidene-1,1-diphenyl-isoquinoline-7-carbonitrile Openeye Name: 4-oxo-1,1-diphenyl-3-(p-tolyl)isoquinoline-7-carbonitrile CAS Name: 3-(4-methylphenyl)-4-oxo-1,1-diphenyl-7-isoquinolinecarbonitrile IUPAC Name: 3-(4-methylphenyl)-4-oxo-1,1-diphenylisoquinoline-7-carbonitrile Traditional Name: 4-keto-1,1-diphenyl-3-(p-tolyl)isoquinoline-7-carbonitrile Formula: C29H20N2O MolecularWeight: 412.4819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(C3=C(C2=O)C=CC(=C3)C#N)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(C3=C(C2=O)C=CC(=C3)C#N)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H20N2O/c1-20-12-15-22(16-13-20)27-28(32)25-17-14-21(19-30)18-26(25)29(31-27,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-18H,1H3