3,6-bis(diphenylmethyl)-3-oxidanyl-1-oxidanylidene-2H-isoindole-5-carbonitrile

Systemtic Name: 3,6-bis(diphenylmethyl)-3-oxidanyl-1-oxidanylidene-2H-isoindole-5-carbonitrile Openeye Name: 3,6-dibenzhydryl-3-hydroxy-1-oxo-isoindoline-5-carbonitrile CAS Name: 3,6-bis(diphenylmethyl)-3-hydroxy-1-oxo-2H-isoindole-5-carbonitrile IUPAC Name: 3,6-dibenzhydryl-3-hydroxy-1-oxo-2H-isoindole-5-carbonitrile Traditional Name: 3,6-dibenzhydryl-3-hydroxy-1-keto-isoindoline-5-carbonitrile Formula: C35H26N2O2 MolecularWeight: 506.59314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC4=C(C=C3C#N)C(NC4=O)(C(C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC4=C(C=C3C#N)C(NC4=O)(C(C5=CC=CC=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C35H26N2O2/c36-23-28-21-31-30(22-29(28)32(24-13-5-1-6-14-24)25-15-7-2-8-16-25)34(38)37-35(31,39)33(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22,32-33,39H,(H,37,38)