2-[3-(methylamino)-2-oxidanyl-propyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[3-(methylamino)-2-oxidanyl-propyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-hydroxy-3-(methylamino)propyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-hydroxy-3-(methylamino)propyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-hydroxy-3-(methylamino)propyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-hydroxy-3-(methylamino)propyl]-4H-isoquinoline-1,3-quinone Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(CN1C(=O)CC2=CC=CC=C2C1=O)O

Isomeric SMILES

CNCC(CN1C(=O)CC2=CC=CC=C2C1=O)O

InChI

InChI=1S/C13H16N2O3/c1-14-7-10(16)8-15-12(17)6-9-4-2-3-5-11(9)13(15)18/h2-5,10,14,16H,6-8H2,1H3