2-[[5-(aminomethyl)-2-fluoranyl-phenyl]methyl]phthalazin-1-one

Systemtic Name: 2-[[5-(aminomethyl)-2-fluoranyl-phenyl]methyl]phthalazin-1-one Openeye Name: 2-[[5-(aminomethyl)-2-fluoro-phenyl]methyl]phthalazin-1-one CAS Name: 2-[[5-(aminomethyl)-2-fluorophenyl]methyl]-1-phthalazinone IUPAC Name: 2-[[5-(aminomethyl)-2-fluorophenyl]methyl]phthalazin-1-one Traditional Name: 2-[5-(aminomethyl)-2-fluoro-benzyl]phthalazin-1-one Formula: C16H14FN3O MolecularWeight: 283.300263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CC3=C(C=CC(=C3)CN)F

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CC3=C(C=CC(=C3)CN)F

InChI

InChI=1S/C16H14FN3O/c17-15-6-5-11(8-18)7-13(15)10-20-16(21)14-4-2-1-3-12(14)9-19-20/h1-7,9H,8,10,18H2