4-[(4-fluoranyl-3-pyrimidin-2-yl-phenyl)methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one

Systemtic Name: 4-[(4-fluoranyl-3-pyrimidin-2-yl-phenyl)methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Openeye Name: 4-[(4-fluoro-3-pyrimidin-2-yl-phenyl)methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one CAS Name: 4-[[4-fluoro-3-(2-pyrimidinyl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one IUPAC Name: 4-[(4-fluoro-3-pyrimidin-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Traditional Name: 4-[4-fluoro-3-(2-pyrimidyl)benzyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Formula: C19H17FN4O MolecularWeight: 336.362883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NNC2=O)CC3=CC(=C(C=C3)F)C4=NC=CC=N4

Isomeric SMILES

C1CCC2=C(C1)C(=NNC2=O)CC3=CC(=C(C=C3)F)C4=NC=CC=N4

InChI

InChI=1S/C19H17FN4O/c20-16-7-6-12(10-15(16)18-21-8-3-9-22-18)11-17-13-4-1-2-5-14(13)19(25)24-23-17/h3,6-10H,1-2,4-5,11H2,(H,24,25)