(3-fluoranyl-4-methoxy-phenyl)methyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H21FN2O4/c1-13(2)11-24-20(25)16-7-5-4-6-15(16)19(23-24)21(26)28-12-14-8-9-18(27-3)17(22)10-14/h4-10,13H,11-12H2,1-3H3