[2-(dimethylamino)-2-oxidanylidene-ethyl] 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-(dimethylamino)-2-oxo-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 [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 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 [2-(dimethylamino)-2-keto-ethyl] ester Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O5/c1-5-27-21(30)19(24-16-11-23-10-14-8-6-7-9-15(14)16)18(13(2)28)20(25-27)22(31)32-12-17(29)26(3)4/h6-11,24H,5,12H2,1-4H3