2-[2-[6-(2,5-dimethylpyrrol-1-yl)pyridin-3-yl]-2-oxidanyl-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[6-(2,5-dimethylpyrrol-1-yl)pyridin-3-yl]-2-oxidanyl-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridyl]-2-hydroxy-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[6-(2,5-dimethyl-1-pyrrolyl)-3-pyridinyl]-2-hydroxyethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[6-(2,5-dimethylpyrrol-1-yl)pyridin-3-yl]-2-hydroxyethyl]isoindole-1,3-dione Traditional Name: 2-[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridyl]-2-hydroxy-ethyl]isoindoline-1,3-quinone Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC=C(C=C2)C(CN3C(=O)C4=CC=CC=C4C3=O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=NC=C(C=C2)C(CN3C(=O)C4=CC=CC=C4C3=O)O)C

InChI

InChI=1S/C21H19N3O3/c1-13-7-8-14(2)24(13)19-10-9-15(11-22-19)18(25)12-23-20(26)16-5-3-4-6-17(16)21(23)27/h3-11,18,25H,12H2,1-2H3