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

Systemtic Name: 2,2-dimethylbutanoyloxymethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: 2,2-dimethylbutanoyloxymethyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid (2,2-dimethyl-1-oxobutoxy)methyl ester IUPAC Name: 2,2-dimethylbutanoyloxymethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid 2,2-dimethylbutanoyloxymethyl ester Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCOC(=O)C1=NN(C(=O)C(=C1)NC2=CN=CC3=CC=CC=C32)CC

Isomeric SMILES

CCC(C)(C)C(=O)OCOC(=O)C1=NN(C(=O)C(=C1)NC2=CN=CC3=CC=CC=C32)CC

InChI

InChI=1S/C23H26N4O5/c1-5-23(3,4)22(30)32-14-31-21(29)18-11-17(20(28)27(6-2)26-18)25-19-13-24-12-15-9-7-8-10-16(15)19/h7-13,25H,5-6,14H2,1-4H3