6-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-4-(pyrimidin-5-ylmethyl)-1,2-dihydroisoquinolin-3-one

Systemtic Name: 6-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-4-(pyrimidin-5-ylmethyl)-1,2-dihydroisoquinolin-3-one Openeye Name: 6-(3-chloro-4-fluoro-phenyl)-4-methyl-4-(pyrimidin-5-ylmethyl)-1,2-dihydroisoquinolin-3-one CAS Name: 6-(3-chloro-4-fluorophenyl)-4-methyl-4-(5-pyrimidinylmethyl)-1,2-dihydroisoquinolin-3-one IUPAC Name: 6-(3-chloro-4-fluorophenyl)-4-methyl-4-(pyrimidin-5-ylmethyl)-1,2-dihydroisoquinolin-3-one Traditional Name: 6-(3-chloro-4-fluoro-phenyl)-4-methyl-4-(5-pyrimidylmethyl)-1,2-dihydroisoquinolin-3-one Formula: C21H17ClFN3O MolecularWeight: 381.830583

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(CNC1=O)C=CC(=C2)C3=CC(=C(C=C3)F)Cl)CC4=CN=CN=C4

Isomeric SMILES

CC1(C2=C(CNC1=O)C=CC(=C2)C3=CC(=C(C=C3)F)Cl)CC4=CN=CN=C4

InChI

InChI=1S/C21H17ClFN3O/c1-21(8-13-9-24-12-25-10-13)17-6-14(2-3-16(17)11-26-20(21)27)15-4-5-19(23)18(22)7-15/h2-7,9-10,12H,8,11H2,1H3,(H,26,27)