4-methyl-2-propan-2-yl-4-(pyrimidin-5-ylmethyl)-6-[3-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-1H-isoquinolin-3-one

Systemtic Name: 4-methyl-2-propan-2-yl-4-(pyrimidin-5-ylmethyl)-6-[3-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-1H-isoquinolin-3-one Openeye Name: 2-isopropyl-4-methyl-4-(pyrimidin-5-ylmethyl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-isoquinolin-3-one CAS Name: 4-methyl-2-propan-2-yl-4-(5-pyrimidinylmethyl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-isoquinolin-3-one IUPAC Name: 4-methyl-2-propan-2-yl-4-(pyrimidin-5-ylmethyl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-isoquinolin-3-one Traditional Name: 2-isopropyl-4-methyl-4-(5-pyrimidylmethyl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-isoquinolin-3-one Formula: C26H26F3N3O2 MolecularWeight: 469.49875

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC2=C(C=C(C=C2)C3=CC(=CC=C3)OCC(F)(F)F)C(C1=O)(C)CC4=CN=CN=C4

Isomeric SMILES

CC(C)N1CC2=C(C=C(C=C2)C3=CC(=CC=C3)OCC(F)(F)F)C(C1=O)(C)CC4=CN=CN=C4

InChI

InChI=1S/C26H26F3N3O2/c1-17(2)32-14-21-8-7-20(19-5-4-6-22(9-19)34-15-26(27,28)29)10-23(21)25(3,24(32)33)11-18-12-30-16-31-13-18/h4-10,12-13,16-17H,11,14-15H2,1-3H3