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

Systemtic Name: (2-oxidanylidene-2-phenylmethoxy-ethyl) 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: (2-benzyloxy-2-oxo-ethyl) 1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid (2-oxo-2-phenylmethoxyethyl) ester IUPAC Name: (2-oxo-2-phenylmethoxyethyl) 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid (2-benzoxy-2-keto-ethyl) ester Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC(=N1)C(=O)OCC(=O)OCC2=CC=CC=C2)NC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=O)C(=CC(=N1)C(=O)OCC(=O)OCC2=CC=CC=C2)NC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C25H22N4O5/c1-2-29-24(31)20(27-22-14-26-13-18-10-6-7-11-19(18)22)12-21(28-29)25(32)34-16-23(30)33-15-17-8-4-3-5-9-17/h3-14,27H,2,15-16H2,1H3