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

Systemtic Name: 4-[(4-fluoranyl-3-pyridin-3-yl-phenyl)methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Openeye Name: 4-[[4-fluoro-3-(3-pyridyl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one CAS Name: 4-[[4-fluoro-3-(3-pyridinyl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one IUPAC Name: 4-[(4-fluoro-3-pyridin-3-ylphenyl)methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Traditional Name: 4-[4-fluoro-3-(3-pyridyl)benzyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Formula: C20H18FN3O MolecularWeight: 335.374823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O/c21-18-8-7-13(10-17(18)14-4-3-9-22-12-14)11-19-15-5-1-2-6-16(15)20(25)24-23-19/h3-4,7-10,12H,1-2,5-6,11H2,(H,24,25)