ethyl 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-acetyl-1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-acetyl-1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 4-acetyl-1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C(=O)OCC)C(=O)C)NC2=CN=CC3=CC=CC=C32

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C(=O)OCC)C(=O)C)NC2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C20H20N4O4/c1-4-24-19(26)17(16(12(3)25)18(23-24)20(27)28-5-2)22-15-11-21-10-13-8-6-7-9-14(13)15/h6-11,22H,4-5H2,1-3H3