(2-chloranyl-4-fluoranyl-phenyl)methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: (2-chloro-4-fluoro-phenyl)methyl 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid (2-chloro-4-fluorophenyl)methyl ester IUPAC Name: (2-chloro-4-fluorophenyl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid (2-chloro-4-fluoro-benzyl) ester Formula: C19H16ClFN2O3 MolecularWeight: 374.793343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C19H16ClFN2O3/c1-11(2)23-18(24)15-6-4-3-5-14(15)17(22-23)19(25)26-10-12-7-8-13(21)9-16(12)20/h3-9,11H,10H2,1-2H3