3-(4-chlorophenyl)-2-(phenylmethyl)-3-(2-pyridin-2-ylethoxy)isoindol-1-one

Systemtic Name: 3-(4-chlorophenyl)-2-(phenylmethyl)-3-(2-pyridin-2-ylethoxy)isoindol-1-one Openeye Name: 2-benzyl-3-(4-chlorophenyl)-3-[2-(2-pyridyl)ethoxy]isoindolin-1-one CAS Name: 3-(4-chlorophenyl)-2-(phenylmethyl)-3-[2-(2-pyridinyl)ethoxy]-1-isoindolone IUPAC Name: 2-benzyl-3-(4-chlorophenyl)-3-(2-pyridin-2-ylethoxy)isoindol-1-one Traditional Name: 2-benzyl-3-(4-chlorophenyl)-3-[2-(2-pyridyl)ethoxy]isoindolin-1-one Formula: C28H23ClN2O2 MolecularWeight: 454.94742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)OCCC5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)OCCC5=CC=CC=N5

InChI

InChI=1S/C28H23ClN2O2/c29-23-15-13-22(14-16-23)28(33-19-17-24-10-6-7-18-30-24)26-12-5-4-11-25(26)27(32)31(28)20-21-8-2-1-3-9-21/h1-16,18H,17,19-20H2