propan-2-yl 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: propan-2-yl 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-5-25-20(27)18(17(13(4)26)19(24-25)21(28)29-12(2)3)23-16-11-22-10-14-8-6-7-9-15(14)16/h6-12,23H,5H2,1-4H3