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

Systemtic Name: (3-methylphenyl)methyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: m-tolylmethyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid (3-methylbenzyl) ester Formula: C24H22N4O3 MolecularWeight: 414.45648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O3/c1-3-28-23(29)20(26-22-14-25-13-18-9-4-5-10-19(18)22)12-21(27-28)24(30)31-15-17-8-6-7-16(2)11-17/h4-14,26H,3,15H2,1-2H3