(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)OC)Cl

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)OC)Cl

InChI

InChI=1S/C20H20ClN3O4/c1-3-4-9-24-18(25)8-7-16(23-24)20(26)28-12-14-10-13-5-6-15(27-2)11-17(13)22-19(14)21/h5-8,10-11H,3-4,9,12H2,1-2H3