2-butyl-4H-isoquinoline-1,3-dione

Systemtic Name: 2-butyl-4H-isoquinoline-1,3-dione Openeye Name: 2-butyl-4H-isoquinoline-1,3-dione CAS Name: 2-butyl-4H-isoquinoline-1,3-dione IUPAC Name: 2-butyl-4H-isoquinoline-1,3-dione Traditional Name: 2-butyl-4H-isoquinoline-1,3-quinone Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)CC2=CC=CC=C2C1=O

Isomeric SMILES

CCCCN1C(=O)CC2=CC=CC=C2C1=O

InChI

InChI=1S/C13H15NO2/c1-2-3-8-14-12(15)9-10-6-4-5-7-11(10)13(14)16/h4-7H,2-3,8-9H2,1H3