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

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-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:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H18ClFN2O3/c1-2-3-11-24-19(25)14-8-5-4-7-13(14)18(23-24)20(26)27-12-15-16(21)9-6-10-17(15)22/h4-10H,2-3,11-12H2,1H3