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

Systemtic Name: ethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-3-thiophen-3-yl-pyridazine-4-carboxylate Openeye Name: ethyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-3-(3-thienyl)pyridazine-4-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-(3-thiophenyl)-4-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxo-3-thiophen-3-ylpyridazine-4-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-3-(3-thienyl)pyridazine-4-carboxylic acid ethyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CSC=C2)C(=O)OCC)NC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CSC=C2)C(=O)OCC)NC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C22H20N4O3S/c1-3-26-21(27)20(24-17-12-23-11-14-7-5-6-8-16(14)17)18(22(28)29-4-2)19(25-26)15-9-10-30-13-15/h5-13,24H,3-4H2,1-2H3