cyclobutyl 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: cyclobutyl 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: cyclobutyl 4-acetyl-1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-acetyl-1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid cyclobutyl ester IUPAC Name: cyclobutyl 4-acetyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 4-acetyl-1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid cyclobutyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C(=O)OC2CCC2)C(=O)C)NC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C(=O)OC2CCC2)C(=O)C)NC3=CN=CC4=CC=CC=C43

InChI

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