(phenylmethyl) 4-ethanoyl-1-ethyl-6-oxidanylidene-5-(pyridin-3-ylamino)pyridazine-3-carboxylate

Systemtic Name: (phenylmethyl) 4-ethanoyl-1-ethyl-6-oxidanylidene-5-(pyridin-3-ylamino)pyridazine-3-carboxylate Openeye Name: benzyl 4-acetyl-1-ethyl-6-oxo-5-(3-pyridylamino)pyridazine-3-carboxylate CAS Name: 4-acetyl-1-ethyl-6-oxo-5-(3-pyridinylamino)-3-pyridazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-acetyl-1-ethyl-6-oxo-5-(pyridin-3-ylamino)pyridazine-3-carboxylate Traditional Name: 4-acetyl-1-ethyl-6-keto-5-(3-pyridylamino)pyridazine-3-carboxylic acid benzyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C(=O)OCC2=CC=CC=C2)C(=O)C)NC3=CN=CC=C3

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C(=O)OCC2=CC=CC=C2)C(=O)C)NC3=CN=CC=C3

InChI

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