2,2-dimethylpropanoyloxymethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-3-phenyl-pyridazine-4-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-3-phenyl-pyridazine-4-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-3-phenyl-pyridazine-4-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-phenyl-4-pyridazinecarboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxo-3-phenylpyridazine-4-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-3-phenyl-pyridazine-4-carboxylic acid pivaloyloxymethyl ester Formula: C28H28N4O5 MolecularWeight: 500.54572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O5/c1-5-32-25(33)24(30-21-16-29-15-19-13-9-10-14-20(19)21)22(23(31-32)18-11-7-6-8-12-18)26(34)36-17-37-27(35)28(2,3)4/h6-16,30H,5,17H2,1-4H3