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

Systemtic Name: [5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (5,7-dichloro-2-methyl-8-quinolyl) 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid (5,7-dichloro-2-methyl-8-quinolinyl) ester IUPAC Name: (5,7-dichloro-2-methylquinolin-8-yl) 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (5,7-dichloro-2-methyl-8-quinolyl) ester Formula: C22H17Cl2N3O3 MolecularWeight: 442.29468

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=C(C4=C3N=C(C=C4)C)Cl)Cl

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=C(C4=C3N=C(C=C4)C)Cl)Cl

InChI

InChI=1S/C22H17Cl2N3O3/c1-3-10-27-21(28)14-7-5-4-6-13(14)19(26-27)22(29)30-20-17(24)11-16(23)15-9-8-12(2)25-18(15)20/h4-9,11H,3,10H2,1-2H3