(3-fluoranyl-4-methoxy-phenyl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C22H23FN2O4 MolecularWeight: 398.427423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C22H23FN2O4/c1-3-4-7-12-25-21(26)17-9-6-5-8-16(17)20(24-25)22(27)29-14-15-10-11-19(28-2)18(23)13-15/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3