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

Systemtic Name: (phenylmethyl) 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: benzyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid benzyl ester Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O3/c1-2-27-22(28)19(25-21-14-24-13-17-10-6-7-11-18(17)21)12-20(26-27)23(29)30-15-16-8-4-3-5-9-16/h3-14,25H,2,15H2,1H3