2-(2-pyridin-4-ylpropan-2-yl)isoindole-1,3-dione hydrate

Systemtic Name: 2-(2-pyridin-4-ylpropan-2-yl)isoindole-1,3-dione hydrate Openeye Name: 2-[1-methyl-1-(4-pyridyl)ethyl]isoindoline-1,3-dione hydrate CAS Name: 2-(2-pyridin-4-ylpropan-2-yl)isoindole-1,3-dione hydrate IUPAC Name: 2-(2-pyridin-4-ylpropan-2-yl)isoindole-1,3-dione hydrate Traditional Name: 2-[1-methyl-1-(4-pyridyl)ethyl]isoindoline-1,3-quinone hydrate Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=NC=C1)N2C(=O)C3=CC=CC=C3C2=O.O

Isomeric SMILES

CC(C)(C1=CC=NC=C1)N2C(=O)C3=CC=CC=C3C2=O.O

InChI

InChI=1S/C16H14N2O2.H2O/c1-16(2,11-7-9-17-10-8-11)18-14(19)12-5-3-4-6-13(12)15(18)20;/h3-10H,1-2H3;1H2