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

Systemtic Name: phenethyl 4-ethanoyl-1-ethyl-6-oxidanylidene-5-(pyridin-3-ylamino)pyridazine-3-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C(=O)OCCC2=CC=CC=C2)C(=O)C)NC3=CN=CC=C3

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C(=O)OCCC2=CC=CC=C2)C(=O)C)NC3=CN=CC=C3

InChI

InChI=1S/C22H22N4O4/c1-3-26-21(28)19(24-17-10-7-12-23-14-17)18(15(2)27)20(25-26)22(29)30-13-11-16-8-5-4-6-9-16/h4-10,12,14,24H,3,11,13H2,1-2H3