2-[4-azanyl-1,1,1-tris(fluoranyl)butan-2-yl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[4-azanyl-1,1,1-tris(fluoranyl)butan-2-yl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[3-amino-1-(trifluoromethyl)propyl]-4H-isoquinoline-1,3-dione CAS Name: 2-(4-amino-1,1,1-trifluorobutan-2-yl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-(4-amino-1,1,1-trifluorobutan-2-yl)-4H-isoquinoline-1,3-dione Traditional Name: 2-[3-amino-1-(trifluoromethyl)propyl]-4H-isoquinoline-1,3-quinone Formula: C13H13F3N2O2 MolecularWeight: 286.24973

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)C(CCN)C(F)(F)F

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)C(CCN)C(F)(F)F

InChI

InChI=1S/C13H13F3N2O2/c14-13(15,16)10(5-6-17)18-11(19)7-8-3-1-2-4-9(8)12(18)20/h1-4,10H,5-7,17H2