[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl] ester Formula: C22H21FN2O5 MolecularWeight: 412.410943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C22H21FN2O5/c1-13(2)11-25-21(27)16-7-5-4-6-15(16)20(24-25)22(28)30-12-18(26)17-10-14(23)8-9-19(17)29-3/h4-10,13H,11-12H2,1-3H3