(4-chloranyl-2-methyl-phenyl) 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-chloro-2-methyl-phenyl) 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid (4-chloro-2-methyl-phenyl) ester Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C22H23ClN2O3/c1-3-4-5-8-13-25-21(26)18-10-7-6-9-17(18)20(24-25)22(27)28-19-12-11-16(23)14-15(19)2/h6-7,9-12,14H,3-5,8,13H2,1-2H3