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

Systemtic Name: 4,4-dimethylpentan-2-yl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: 1,3,3-trimethylbutyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid 4,4-dimethylpentan-2-yl ester IUPAC Name: 4,4-dimethylpentan-2-yl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid 1,3,3-trimethylbutyl ester Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC(=N1)C(=O)OC(C)CC(C)(C)C)NC2=CN=CC3=CC=CC=C32

Isomeric SMILES

CCN1C(=O)C(=CC(=N1)C(=O)OC(C)CC(C)(C)C)NC2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C23H28N4O3/c1-6-27-21(28)18(25-20-14-24-13-16-9-7-8-10-17(16)20)11-19(26-27)22(29)30-15(2)12-23(3,4)5/h7-11,13-15,25H,6,12H2,1-5H3