(4-chlorophenyl) 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-chlorophenyl) 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-chlorophenyl) 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid (4-chlorophenyl) ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3/c1-2-3-4-7-14-24-20(25)18-9-6-5-8-17(18)19(23-24)21(26)27-16-12-10-15(22)11-13-16/h5-6,8-13H,2-4,7,14H2,1H3