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

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (6-chloro-3-pyridyl)methyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (6-chloro-3-pyridyl)methyl ester Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CN=C(C=C3)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CN=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O3/c1-2-3-6-11-24-19(25)16-8-5-4-7-15(16)18(23-24)20(26)27-13-14-9-10-17(21)22-12-14/h4-5,7-10,12H,2-3,6,11,13H2,1H3