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

Systemtic Name: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-[(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C24H26FN3O4 MolecularWeight: 439.479343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC3=CC=CC=C3F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC3=CC=CC=C3F

InChI

InChI=1S/C24H26FN3O4/c1-2-3-4-9-14-28-23(30)19-12-7-6-11-18(19)22(27-28)24(31)32-16-21(29)26-15-17-10-5-8-13-20(17)25/h5-8,10-13H,2-4,9,14-16H2,1H3,(H,26,29)