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

Systemtic Name: prop-2-enyl 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4/c1-4-10-29-21(28)19-17(13(3)26)18(20(27)25(5-2)24-19)23-16-12-22-11-14-8-6-7-9-15(14)16/h4,6-9,11-12,23H,1,5,10H2,2-3H3