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

Systemtic Name: 2-phenoxyethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: 2-phenoxyethyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid 2-phenoxyethyl ester Formula: C24H22N4O4 MolecularWeight: 430.45588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC(=N1)C(=O)OCCOC2=CC=CC=C2)NC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=O)C(=CC(=N1)C(=O)OCCOC2=CC=CC=C2)NC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C24H22N4O4/c1-2-28-23(29)20(26-22-16-25-15-17-8-6-7-11-19(17)22)14-21(27-28)24(30)32-13-12-31-18-9-4-3-5-10-18/h3-11,14-16,26H,2,12-13H2,1H3