(2-chloranyl-5-methyl-phenyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (2-chloro-5-methyl-phenyl) 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (2-chloro-5-methyl-phenyl) ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=CC(=C3)C)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=CC(=C3)C)Cl

InChI

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