[5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (5,7-dichloro-2-methyl-8-quinolyl) 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (5,7-dichloro-2-methyl-8-quinolinyl) ester IUPAC Name: (5,7-dichloro-2-methylquinolin-8-yl) 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid (5,7-dichloro-2-methyl-8-quinolyl) ester Formula: C23H19Cl2N3O3 MolecularWeight: 456.32126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=C(C4=C3N=C(C=C4)C)Cl)Cl

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=C(C4=C3N=C(C=C4)C)Cl)Cl

InChI

InChI=1S/C23H19Cl2N3O3/c1-3-4-11-28-22(29)15-8-6-5-7-14(15)20(27-28)23(30)31-21-18(25)12-17(24)16-10-9-13(2)26-19(16)21/h5-10,12H,3-4,11H2,1-2H3