[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H14FN3O4 MolecularWeight: 355.319863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)F

InChI

InChI=1S/C18H14FN3O4/c19-14-8-4-1-5-11(14)9-20-15(23)10-26-18(25)16-12-6-2-3-7-13(12)17(24)22-21-16/h1-8H,9-10H2,(H,20,23)(H,22,24)