5-[bis(4-chlorophenyl)-oxidanyl-methyl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-[bis(4-chlorophenyl)-oxidanyl-methyl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 5-[bis(4-chlorophenyl)-hydroxy-methyl]-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 5-[bis(4-chlorophenyl)-hydroxymethyl]-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 5-[bis(4-chlorophenyl)-hydroxymethyl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 5-[bis(4-chlorophenyl)-hydroxy-methyl]-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C27H18Cl2N2O3 MolecularWeight: 489.34942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(C4=CC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)O

Isomeric SMILES

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(C4=CC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)O

InChI

InChI=1S/C27H18Cl2N2O3/c28-21-8-3-18(4-9-21)27(34,19-5-10-22(29)11-6-19)20-7-12-23-24(14-20)26(33)31(25(23)32)16-17-2-1-13-30-15-17/h1-15,34H,16H2