(6-chloranylpyridin-3-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (6-chloro-3-pyridyl)methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (6-chloro-3-pyridyl)methyl ester Formula: C21H14ClN3O3 MolecularWeight: 391.80716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CN=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CN=C(C=C4)Cl

InChI

InChI=1S/C21H14ClN3O3/c22-18-11-10-14(12-23-18)13-28-21(27)19-16-8-4-5-9-17(16)20(26)25(24-19)15-6-2-1-3-7-15/h1-12H,13H2