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

Systemtic Name: 3,6-bis(diphenylmethyl)-2-methyl-3-oxidanyl-1-oxidanylidene-isoindole-5-carbonitrile Openeye Name: 3,6-dibenzhydryl-3-hydroxy-2-methyl-1-oxo-isoindoline-5-carbonitrile CAS Name: 3,6-bis(diphenylmethyl)-3-hydroxy-2-methyl-1-oxo-5-isoindolecarbonitrile IUPAC Name: 3,6-dibenzhydryl-3-hydroxy-2-methyl-1-oxoisoindole-5-carbonitrile Traditional Name: 3,6-dibenzhydryl-3-hydroxy-1-keto-2-methyl-isoindoline-5-carbonitrile Formula: C36H28N2O2 MolecularWeight: 520.61972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1(C(C3=CC=CC=C3)C4=CC=CC=C4)O)C=C(C(=C2)C(C5=CC=CC=C5)C6=CC=CC=C6)C#N

Isomeric SMILES

CN1C(=O)C2=C(C1(C(C3=CC=CC=C3)C4=CC=CC=C4)O)C=C(C(=C2)C(C5=CC=CC=C5)C6=CC=CC=C6)C#N

InChI

InChI=1S/C36H28N2O2/c1-38-35(39)31-23-30(33(25-14-6-2-7-15-25)26-16-8-3-9-17-26)29(24-37)22-32(31)36(38,40)34(27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-23,33-34,40H,1H3