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

Systemtic Name: 2-[3-azanyl-1,1,1-tris(fluoranyl)propan-2-yl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[1-(aminomethyl)-2,2,2-trifluoro-ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-(3-amino-1,1,1-trifluoropropan-2-yl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3-amino-1,1,1-trifluoropropan-2-yl)-4H-isoquinoline-1,3-dione Traditional Name: 2-[1-(aminomethyl)-2,2,2-trifluoro-ethyl]-4H-isoquinoline-1,3-quinone Formula: C12H11F3N2O2 MolecularWeight: 272.22315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3N2O2/c13-12(14,15)9(6-16)17-10(18)5-7-3-1-2-4-8(7)11(17)19/h1-4,9H,5-6,16H2