(2-chloranyl-6-fluoranyl-phenyl)methyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H18ClFN2O3 MolecularWeight: 388.819923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H18ClFN2O3/c1-12(2)10-24-19(25)14-7-4-3-6-13(14)18(23-24)20(26)27-11-15-16(21)8-5-9-17(15)22/h3-9,12H,10-11H2,1-2H3