2-butyl-4-pyridin-3-yl-isoindole-1,3-dione

Systemtic Name: 2-butyl-4-pyridin-3-yl-isoindole-1,3-dione Openeye Name: 2-butyl-4-(3-pyridyl)isoindoline-1,3-dione CAS Name: 2-butyl-4-(3-pyridinyl)isoindole-1,3-dione IUPAC Name: 2-butyl-4-pyridin-3-ylisoindole-1,3-dione Traditional Name: 2-butyl-4-(3-pyridyl)isoindoline-1,3-quinone Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC(=C2C1=O)C3=CN=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC(=C2C1=O)C3=CN=CC=C3

InChI

InChI=1S/C17H16N2O2/c1-2-3-10-19-16(20)14-8-4-7-13(15(14)17(19)21)12-6-5-9-18-11-12/h4-9,11H,2-3,10H2,1H3