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

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-chloro-2-methyl-phenyl) 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid (4-chloro-2-methyl-phenyl) ester Formula: C20H19ClN2O3 MolecularWeight: 370.82946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C20H19ClN2O3/c1-3-4-11-23-19(24)16-8-6-5-7-15(16)18(22-23)20(25)26-17-10-9-14(21)12-13(17)2/h5-10,12H,3-4,11H2,1-2H3