2-(4-azanylbutyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(4-azanylbutyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(4-aminobutyl)-4H-isoquinoline-1,3-dione CAS Name: 2-(4-aminobutyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-(4-aminobutyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-(4-aminobutyl)-4H-isoquinoline-1,3-quinone Formula: C13H16N2O2 MolecularWeight: 232.27834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CCCCN

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CCCCN

InChI

InChI=1S/C13H16N2O2/c14-7-3-4-8-15-12(16)9-10-5-1-2-6-11(10)13(15)17/h1-2,5-6H,3-4,7-9,14H2