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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C23H25FN2O4 MolecularWeight: 412.454003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C23H25FN2O4/c1-3-4-5-8-13-26-22(27)18-10-7-6-9-17(18)21(25-26)23(28)30-15-16-11-12-20(29-2)19(24)14-16/h6-7,9-12,14H,3-5,8,13,15H2,1-2H3