4-(2-azanylethylamino)-2-[2,6-di(propan-2-yl)phenyl]-5,6,7-tris(fluoranyl)isoindole-1,3-dione

Systemtic Name: 4-(2-azanylethylamino)-2-[2,6-di(propan-2-yl)phenyl]-5,6,7-tris(fluoranyl)isoindole-1,3-dione Openeye Name: 4-(2-aminoethylamino)-2-(2,6-diisopropylphenyl)-5,6,7-trifluoro-isoindoline-1,3-dione CAS Name: 4-(2-aminoethylamino)-2-[2,6-di(propan-2-yl)phenyl]-5,6,7-trifluoroisoindole-1,3-dione IUPAC Name: 4-(2-aminoethylamino)-2-[2,6-di(propan-2-yl)phenyl]-5,6,7-trifluoroisoindole-1,3-dione Traditional Name: 4-(2-aminoethylamino)-2-(2,6-diisopropylphenyl)-5,6,7-trifluoro-isoindoline-1,3-quinone Formula: C22H24F3N3O2 MolecularWeight: 419.44007

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=C(C2=O)C(=C(C(=C3NCCN)F)F)F

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=C(C2=O)C(=C(C(=C3NCCN)F)F)F

InChI

InChI=1S/C22H24F3N3O2/c1-10(2)12-6-5-7-13(11(3)4)20(12)28-21(29)14-15(22(28)30)19(27-9-8-26)18(25)17(24)16(14)23/h5-7,10-11,27H,8-9,26H2,1-4H3