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

Systemtic Name: butan-2-yl 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: sec-butyl 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 butan-2-yl ester IUPAC Name: butan-2-yl 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 sec-butyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=NN(C(=O)C(=C1C(=O)C)NC2=CN=CC3=CC=CC=C32)CC

Isomeric SMILES

CCC(C)OC(=O)C1=NN(C(=O)C(=C1C(=O)C)NC2=CN=CC3=CC=CC=C32)CC

InChI

InChI=1S/C22H24N4O4/c1-5-13(3)30-22(29)20-18(14(4)27)19(21(28)26(6-2)25-20)24-17-12-23-11-15-9-7-8-10-16(15)17/h7-13,24H,5-6H2,1-4H3