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

Systemtic Name: ethyl 1-ethyl-5-(isoquinolin-4-ylamino)-3-(4-methylphenyl)-6-oxidanylidene-pyridazine-4-carboxylate Openeye Name: ethyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-3-(p-tolyl)pyridazine-4-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-3-(4-methylphenyl)-6-oxo-4-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-5-(isoquinolin-4-ylamino)-3-(4-methylphenyl)-6-oxopyridazine-4-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-3-(p-tolyl)pyridazine-4-carboxylic acid ethyl ester Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O3/c1-4-29-24(30)23(27-20-15-26-14-18-8-6-7-9-19(18)20)21(25(31)32-5-2)22(28-29)17-12-10-16(3)11-13-17/h6-15,27H,4-5H2,1-3H3