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

Systemtic Name: phenacyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: phenacyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid phenacyl ester Formula: C24H20N4O4 MolecularWeight: 428.44

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N4O4/c1-2-28-23(30)19(26-21-14-25-13-17-10-6-7-11-18(17)21)12-20(27-28)24(31)32-15-22(29)16-8-4-3-5-9-16/h3-14,26H,2,15H2,1H3