4-[[1-(4-chlorophenyl)-1-(4-oxidanylbutoxy)-3-oxidanylidene-isoindol-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1-(4-chlorophenyl)-1-(4-oxidanylbutoxy)-3-oxidanylidene-isoindol-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[1-(4-chlorophenyl)-1-(4-hydroxybutoxy)-3-oxo-isoindolin-2-yl]methyl]benzonitrile CAS Name: 4-[[1-(4-chlorophenyl)-1-(4-hydroxybutoxy)-3-oxo-2-isoindolyl]methyl]benzonitrile IUPAC Name: 4-[[1-(4-chlorophenyl)-1-(4-hydroxybutoxy)-3-oxoisoindol-2-yl]methyl]benzonitrile Traditional Name: 4-[[1-(4-chlorophenyl)-1-(4-hydroxybutoxy)-3-keto-isoindolin-2-yl]methyl]benzonitrile Formula: C26H23ClN2O3 MolecularWeight: 446.92542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2(C3=CC=C(C=C3)Cl)OCCCCO)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2(C3=CC=C(C=C3)Cl)OCCCCO)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H23ClN2O3/c27-22-13-11-21(12-14-22)26(32-16-4-3-15-30)24-6-2-1-5-23(24)25(31)29(26)18-20-9-7-19(17-28)8-10-20/h1-2,5-14,30H,3-4,15-16,18H2